(4-bromo-2,3-diphenylphenyl)phosphane

C18H14BrP — CID 18980701

IUPAC(4-bromo-2,3-diphenylphenyl)phosphane
SMILESPc1ccc(Br)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14BrP/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,20H2
InChIKeyXJZYAFNNBIUZIY-UHFFFAOYSA-N
MW341.19 g/mol
LogP5.28
Rot. Bonds2

About (4-bromo-2,3-diphenylphenyl)phosphane

(4-bromo-2,3-diphenylphenyl)phosphane (PubChem CID 18980701) has the molecular formula C18H14BrP and a molecular weight of 341.19 g/mol. Its IUPAC name is (4-bromo-2,3-diphenylphenyl)phosphane.

Molecular Properties

Compound Name(4-bromo-2,3-diphenylphenyl)phosphane
PubChem CID18980701
Molecular FormulaC18H14BrP
Molecular Weight341.19 g/mol
Exact Mass340.00
IUPAC Name(4-bromo-2,3-diphenylphenyl)phosphane
SMILESPc1ccc(Br)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14BrP/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,20H2
InChIKeyXJZYAFNNBIUZIY-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.19
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-diphenylphenyl)phosphane?
The IUPAC name of (4-bromo-2,3-diphenylphenyl)phosphane (CID 18980701) is (4-bromo-2,3-diphenylphenyl)phosphane.
What is the SMILES notation for (4-bromo-2,3-diphenylphenyl)phosphane?
The canonical SMILES for (4-bromo-2,3-diphenylphenyl)phosphane is Pc1ccc(Br)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4-bromo-2,3-diphenylphenyl)phosphane?
The InChIKey is XJZYAFNNBIUZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrP/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,20H2.
What are the key properties of (4-bromo-2,3-diphenylphenyl)phosphane?
(4-bromo-2,3-diphenylphenyl)phosphane has a molecular weight of 341.19 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-diphenylphenyl)phosphane is sourced from PubChem (CID 18980701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).