bromo-(2,3,4-triphenylphenyl)phosphinous acid

C24H18BrOP — CID 142735464

IUPACbromo-(2,3,4-triphenylphenyl)phosphinous acid
SMILESOP(Br)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18BrOP/c25-27(26)22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)24(22)20-14-8-3-9-15-20/h1-17,26H
InChIKeyMSZCOVQOHKGSDK-UHFFFAOYSA-N
MW433.29 g/mol
LogP7.01
Rot. Bonds4

About bromo-(2,3,4-triphenylphenyl)phosphinous acid

bromo-(2,3,4-triphenylphenyl)phosphinous acid (PubChem CID 142735464) has the molecular formula C24H18BrOP and a molecular weight of 433.29 g/mol. Its IUPAC name is bromo-(2,3,4-triphenylphenyl)phosphinous acid.

Molecular Properties

Compound Namebromo-(2,3,4-triphenylphenyl)phosphinous acid
PubChem CID142735464
Molecular FormulaC24H18BrOP
Molecular Weight433.29 g/mol
Exact Mass432.03
IUPAC Namebromo-(2,3,4-triphenylphenyl)phosphinous acid
SMILESOP(Br)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18BrOP/c25-27(26)22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)24(22)20-14-8-3-9-15-20/h1-17,26H
InChIKeyMSZCOVQOHKGSDK-UHFFFAOYSA-N
XLogP7.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane
CID 159748341
hydroxy-(2,3,4-triphenylphenyl)phosphanium bromide
CID 159320906
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
ruthenium;(2,3,4-triphenylphenyl)phosphane
CID 161293596
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
6-chloro-2,3-diphenylphenol
CID 174572078
1,2,3-triphenyl-4-(trichloromethyl)benzene
CID 57019840
(2,3,4-triphenylphenyl)hydrazine
CID 67058028
1,1'-biphenyl;phosphorous acid
CID 66989787
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
3-[3,4-diphenyl-2-[4-(2,3,6-triphenylphenyl)phenyl]phenyl]benzenethiol
CID 70842936

Frequently Asked Questions

What is the IUPAC name of bromo-(2,3,4-triphenylphenyl)phosphinous acid?
The IUPAC name of bromo-(2,3,4-triphenylphenyl)phosphinous acid (CID 142735464) is bromo-(2,3,4-triphenylphenyl)phosphinous acid.
What is the SMILES notation for bromo-(2,3,4-triphenylphenyl)phosphinous acid?
The canonical SMILES for bromo-(2,3,4-triphenylphenyl)phosphinous acid is OP(Br)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of bromo-(2,3,4-triphenylphenyl)phosphinous acid?
The InChIKey is MSZCOVQOHKGSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrOP/c25-27(26)22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)24(22)20-14-8-3-9-15-20/h1-17,26H.
What are the key properties of bromo-(2,3,4-triphenylphenyl)phosphinous acid?
bromo-(2,3,4-triphenylphenyl)phosphinous acid has a molecular weight of 433.29 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2,3,4-triphenylphenyl)phosphinous acid is sourced from PubChem (CID 142735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).