4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene

C24H17Br2O2P — CID 175227137

IUPAC4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
SMILESO=P(Oc1cc(Br)ccc1-c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17Br2O2P/c25-19-13-11-18(12-14-19)23-16-15-20(26)17-24(23)28-29(27,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H
InChIKeyYMJFBNVVFAXEEO-UHFFFAOYSA-N
MW528.18 g/mol
LogP7.19
Rot. Bonds5

About 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene

4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene (PubChem CID 175227137) has the molecular formula C24H17Br2O2P and a molecular weight of 528.18 g/mol. Its IUPAC name is 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene.

Molecular Properties

Compound Name4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
PubChem CID175227137
Molecular FormulaC24H17Br2O2P
Molecular Weight528.18 g/mol
Exact Mass525.93
IUPAC Name4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
SMILESO=P(Oc1cc(Br)ccc1-c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17Br2O2P/c25-19-13-11-18(12-14-19)23-16-15-20(26)17-24(23)28-29(27,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H
InChIKeyYMJFBNVVFAXEEO-UHFFFAOYSA-N
XLogP7.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.18
LogP ≤ 57.19
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

4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide
CID 121416151
4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
CID 171394460
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
1,8-bis(diphenylphosphoryloxy)naphthalene
CID 631205
2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol
CID 19580460
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
2-diphenylphosphoryloxyterephthalic acid
CID 175552705
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene
CID 21469895
(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane
CID 12591469

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene?
The IUPAC name of 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene (CID 175227137) is 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene.
What is the SMILES notation for 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene?
The canonical SMILES for 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene is O=P(Oc1cc(Br)ccc1-c1ccc(Br)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene?
The InChIKey is YMJFBNVVFAXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br2O2P/c25-19-13-11-18(12-14-19)23-16-15-20(26)17-24(23)28-29(27,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H.
What are the key properties of 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene?
4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene has a molecular weight of 528.18 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene is sourced from PubChem (CID 175227137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).