[2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane

C24H19BrO2P2 — CID 175562616

IUPAC[2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane
SMILESBrc1ccc(-c2ccccc2OPc2ccccc2)c(OPc2ccccc2)c1
InChIInChI=1S/C24H19BrO2P2/c25-18-15-16-22(24(17-18)27-29-20-11-5-2-6-12-20)21-13-7-8-14-23(21)26-28-19-9-3-1-4-10-19/h1-17,28-29H
InChIKeyFEXYJUGXBFNPAG-UHFFFAOYSA-N
MW481.27 g/mol
LogP6.71
Rot. Bonds7

About [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane

[2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane (PubChem CID 175562616) has the molecular formula C24H19BrO2P2 and a molecular weight of 481.27 g/mol. Its IUPAC name is [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane.

Molecular Properties

Compound Name[2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane
PubChem CID175562616
Molecular FormulaC24H19BrO2P2
Molecular Weight481.27 g/mol
Exact Mass480.00
IUPAC Name[2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane
SMILESBrc1ccc(-c2ccccc2OPc2ccccc2)c(OPc2ccccc2)c1
InChIInChI=1S/C24H19BrO2P2/c25-18-15-16-22(24(17-18)27-29-20-11-5-2-6-12-20)21-13-7-8-14-23(21)26-28-19-9-3-1-4-10-19/h1-17,28-29H
InChIKeyFEXYJUGXBFNPAG-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.27
LogP ≤ 56.71
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-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
CID 171394460
methyl-[2-(2-phosphanyloxyphenyl)phenoxy]phosphane
CID 21130910
bis(2-phenylphenoxy)phosphane
CID 175384699
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
2-bromo-9-methylidenefluorene
CID 89181639
1-(4-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
CID 175227137
2-bromonaphthalene;phenol
CID 174920874
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4-bromo-2-chloro-1-phenylbenzene
CID 13457416

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane?
The IUPAC name of [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane (CID 175562616) is [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane.
What is the SMILES notation for [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane?
The canonical SMILES for [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane is Brc1ccc(-c2ccccc2OPc2ccccc2)c(OPc2ccccc2)c1.
What is the InChIKey of [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane?
The InChIKey is FEXYJUGXBFNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrO2P2/c25-18-15-16-22(24(17-18)27-29-20-11-5-2-6-12-20)21-13-7-8-14-23(21)26-28-19-9-3-1-4-10-19/h1-17,28-29H.
What are the key properties of [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane?
[2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane has a molecular weight of 481.27 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-phenylphosphanyloxyphenyl)phenoxy]-phenylphosphane is sourced from PubChem (CID 175562616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).