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261733-18-0 molecular structure
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4,6-bis(diphenylphosphanyl)-10H-phenoxazine

ChemBase ID: 141085
Molecular Formular: C36H27NOP2
Molecular Mass: 551.553202
Monoisotopic Mass: 551.15678775
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1cccc2c1Oc1c(cccc1P(c1ccccc1)c1ccccc1)N2
Canonical SMILES:
c1ccc(cc1)P(c1cccc2c1Oc1c(N2)cccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
InChIKey:
HSWZLYXRAOXOLL-UHFFFAOYSA-N

Cite this record

CBID:141085 http://www.chembase.cn/molecule-141085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-bis(diphenylphosphanyl)-10H-phenoxazine
IUPAC Traditional name
4,6-bis(diphenylphosphanyl)-10H-phenoxazine
Synonyms
NIXANTPHOS
4,6-Bis(diphenylphosphino)-10H-phenoxazine
4,6-Bis(diphenylphosphino)phenoxazine
4,6-二(二苯基膦)吩嗪
4,6-双(二苯基膦)-10H-吩噁嗪
4,6-双(二苯基膦)吩噁嗪
CAS Number
261733-18-0
MDL Number
MFCD03788937
PubChem SID
162235320
24884806
PubChem CID
3255346

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3255346 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.684229  H Acceptors
H Donor LogD (pH = 5.5) 8.8006 
LogD (pH = 7.4) 8.8006  Log P 8.8006 
Molar Refractivity 165.8568 cm3 Polarizability 64.97971 Å3
Polar Surface Area 21.26 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
251-254°C expand Show data source
256-262 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Purity
97% expand Show data source
98+% expand Show data source
Linear Formula
(C6H3)2NHO(P(C6H5)2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 666564 external link
Packaging
1 g in glass bottle
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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