3-bromo-5,10-diphenylphenophosphazinine 10-oxide

C24H17BrNOP — CID 140919766

IUPAC3-bromo-5,10-diphenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C24H17BrNOP/c25-18-15-16-24-22(17-18)26(19-9-3-1-4-10-19)21-13-7-8-14-23(21)28(24,27)20-11-5-2-6-12-20/h1-17H
InChIKeyYPDBZPMKDXXKKK-UHFFFAOYSA-N
MW446.28 g/mol
LogP5.87
Rot. Bonds2

About 3-bromo-5,10-diphenylphenophosphazinine 10-oxide

3-bromo-5,10-diphenylphenophosphazinine 10-oxide (PubChem CID 140919766) has the molecular formula C24H17BrNOP and a molecular weight of 446.28 g/mol. Its IUPAC name is 3-bromo-5,10-diphenylphenophosphazinine 10-oxide.

Molecular Properties

Compound Name3-bromo-5,10-diphenylphenophosphazinine 10-oxide
PubChem CID140919766
Molecular FormulaC24H17BrNOP
Molecular Weight446.28 g/mol
Exact Mass445.02
IUPAC Name3-bromo-5,10-diphenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C24H17BrNOP/c25-18-15-16-24-22(17-18)26(19-9-3-1-4-10-19)21-13-7-8-14-23(21)28(24,27)20-11-5-2-6-12-20/h1-17H
InChIKeyYPDBZPMKDXXKKK-UHFFFAOYSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.28
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 140898944
10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 140898941
2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide
CID 153292066
10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
CID 130260325
5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260288
5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260596
5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
CID 129089140
5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260300
5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260294
2,7-dibromo-5,10-bis(4-bromophenyl)phenazine
CID 122390702
2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline
CID 86232471

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,10-diphenylphenophosphazinine 10-oxide?
The IUPAC name of 3-bromo-5,10-diphenylphenophosphazinine 10-oxide (CID 140919766) is 3-bromo-5,10-diphenylphenophosphazinine 10-oxide.
What is the SMILES notation for 3-bromo-5,10-diphenylphenophosphazinine 10-oxide?
The canonical SMILES for 3-bromo-5,10-diphenylphenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-5,10-diphenylphenophosphazinine 10-oxide?
The InChIKey is YPDBZPMKDXXKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrNOP/c25-18-15-16-24-22(17-18)26(19-9-3-1-4-10-19)21-13-7-8-14-23(21)28(24,27)20-11-5-2-6-12-20/h1-17H.
What are the key properties of 3-bromo-5,10-diphenylphenophosphazinine 10-oxide?
3-bromo-5,10-diphenylphenophosphazinine 10-oxide has a molecular weight of 446.28 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,10-diphenylphenophosphazinine 10-oxide is sourced from PubChem (CID 140919766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).