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disodium 5-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-[(E)-2-(4-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate
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ChemBase ID:
169271
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Molecular Formular:
C40H38N12Na2O8S2
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Molecular Mass:
924.91486
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Monoisotopic Mass:
924.2172368
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SMILES and InChIs
SMILES:
n1c(nc(nc1Nc1ccccc1)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c1c(cc(cc1)Nc1nc(nc(n1)Nc1ccccc1)N1CCOCC1)S(=O)(=O)[O-])N1CCOCC1.[Na+].[Na+]
Canonical SMILES:
[O-]S(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)[O-])Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+]
InChI:
InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
InChIKey:
VUJGKADZTYCLIL-YHPRVSEPSA-L
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Cite this record
CBID:169271 http://www.chembase.cn/molecule-169271.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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disodium 5-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-[(E)-2-(4-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate
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IUPAC Traditional name
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disodium 5-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-[(E)-2-(4-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzenesulfonate
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Synonyms
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2,2'-(1,2-Ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic Acid Sodium Salt
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4,4'-Bis[(4-anilino-6-morpholino-s-triazin-2-yl)amino]-2,2'-stilbenedisulfonic Acid Disodium Salt
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Belofor KD 2
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Belotex KD
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Blancophor BBH
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Blankophor BBH
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Heliofor 3BC
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Heliofor BDC
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Hiltamine Arctic White DML
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Kayaphor MAS
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Leukopur PAM
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MBBH 766
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Mikephor TB
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Tinopal AMS
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Fluorescent Brightener 71 (~65%)
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-2.8186092
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H Acceptors
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20
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H Donor
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4
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LogD (pH = 5.5)
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2.694468
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LogD (pH = 7.4)
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3.2848012
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Log P
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1.7799625
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Molar Refractivity
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234.0686 cm3
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Polarizability
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87.11987 Å3
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Polar Surface Area
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264.8 Å2
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Rotatable Bonds
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14
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
F596080
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Fluorescent (optical) brighteners are known for their characteristics of protecting baculoviruses against deactivation by UV light and enhancing the activity of these agents as microbial insecticides on hosts and semipermissive hosts. Fluorescent brighten |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Darken, M., et al.: Science, 1962, 133, 1704 (1962)
- • Hamm, J., et al.: J. Econ. Entomol., 85, 2149 (1962)
- • Abot, A., et al.: Biol. Control., 7, 126 (1962)
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PATENTS
PATENTS
PubChem Patent
Google Patent