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16090-02-1 molecular structure
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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

ChemBase ID: 169271
Molecular Formular: C40H38N12Na2O8S2
Molecular Mass: 924.91486
Monoisotopic Mass: 924.2172368
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

Cite this record

CBID:169271 http://www.chembase.cn/molecule-169271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
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
IUPAC Traditional name
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
Synonyms
2,2'-(1,2-Ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic Acid Sodium Salt
4,4'-Bis[(4-anilino-6-morpholino-s-triazin-2-yl)amino]-2,2'-stilbenedisulfonic Acid Disodium Salt
Belofor KD 2
Belotex KD
Blancophor BBH
Blankophor BBH
Heliofor 3BC
Heliofor BDC
Hiltamine Arctic White DML
Kayaphor MAS
Leukopur PAM
MBBH 766
Mikephor TB
Tinopal AMS
Fluorescent Brightener 71 (~65%)
CAS Number
16090-02-1
PubChem SID
162263403
PubChem CID
6433657

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC F596080 external link Add to cart
PubChem 6433657 external link
Data Source Data ID Price
TRC
F596080 external link Add to cart Please log in.
Data Source Data ID
PubChem 6433657 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.8186092  H Acceptors 20 
H Donor LogD (pH = 5.5) 2.694468 
LogD (pH = 7.4) 3.2848012  Log P 1.7799625 
Molar Refractivity 234.0686 cm3 Polarizability 87.11987 Å3
Polar Surface Area 264.8 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F596080 external link
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 IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle 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

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INTERNET

INTERNET

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