bis(4-bromophenyl)-phenylphosphane

C18H13Br2P — CID 10364804

IUPACbis(4-bromophenyl)-phenylphosphane
SMILESBrc1ccc(P(c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H13Br2P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKeyXQTRLZHQNYWEQN-UHFFFAOYSA-N
MW420.08 g/mol
LogP4.97
Rot. Bonds3

About bis(4-bromophenyl)-phenylphosphane

bis(4-bromophenyl)-phenylphosphane (PubChem CID 10364804) has the molecular formula C18H13Br2P and a molecular weight of 420.08 g/mol. Its IUPAC name is bis(4-bromophenyl)-phenylphosphane.

Molecular Properties

Compound Namebis(4-bromophenyl)-phenylphosphane
PubChem CID10364804
Molecular FormulaC18H13Br2P
Molecular Weight420.08 g/mol
Exact Mass417.91
IUPAC Namebis(4-bromophenyl)-phenylphosphane
SMILESBrc1ccc(P(c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H13Br2P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKeyXQTRLZHQNYWEQN-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.08
LogP ≤ 54.97
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 bis(4-bromophenyl)-phenylphosphane?
The IUPAC name of bis(4-bromophenyl)-phenylphosphane (CID 10364804) is bis(4-bromophenyl)-phenylphosphane.
What is the SMILES notation for bis(4-bromophenyl)-phenylphosphane?
The canonical SMILES for bis(4-bromophenyl)-phenylphosphane is Brc1ccc(P(c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of bis(4-bromophenyl)-phenylphosphane?
The InChIKey is XQTRLZHQNYWEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H.
What are the key properties of bis(4-bromophenyl)-phenylphosphane?
bis(4-bromophenyl)-phenylphosphane has a molecular weight of 420.08 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-phenylphosphane is sourced from PubChem (CID 10364804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).