bis(2-diphenylphosphanylphenyl)-phenylphosphane

C42H33P3 — CID 6308777

IUPACbis(2-diphenylphosphanylphenyl)-phenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H33P3/c1-6-20-34(21-7-1)43(35-22-8-2-9-23-35)39-30-16-18-32-41(39)45(38-28-14-5-15-29-38)42-33-19-17-31-40(42)44(36-24-10-3-11-25-36)37-26-12-4-13-27-37/h1-33H
InChIKeyISBBNYHOCIARJD-UHFFFAOYSA-N
MW630.65 g/mol
LogP6.96
Rot. Bonds9

About bis(2-diphenylphosphanylphenyl)-phenylphosphane

bis(2-diphenylphosphanylphenyl)-phenylphosphane (PubChem CID 6308777) has the molecular formula C42H33P3 and a molecular weight of 630.65 g/mol. Its IUPAC name is bis(2-diphenylphosphanylphenyl)-phenylphosphane.

Molecular Properties

Compound Namebis(2-diphenylphosphanylphenyl)-phenylphosphane
PubChem CID6308777
Molecular FormulaC42H33P3
Molecular Weight630.65 g/mol
Exact Mass630.18
IUPAC Namebis(2-diphenylphosphanylphenyl)-phenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H33P3/c1-6-20-34(21-7-1)43(35-22-8-2-9-23-35)39-30-16-18-32-41(39)45(38-28-14-5-15-29-38)42-33-19-17-31-40(42)44(36-24-10-3-11-25-36)37-26-12-4-13-27-37/h1-33H
InChIKeyISBBNYHOCIARJD-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.65
LogP ≤ 56.96
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(2-diphenylphosphanylphenyl)-phenylphosphane?
The IUPAC name of bis(2-diphenylphosphanylphenyl)-phenylphosphane (CID 6308777) is bis(2-diphenylphosphanylphenyl)-phenylphosphane.
What is the SMILES notation for bis(2-diphenylphosphanylphenyl)-phenylphosphane?
The canonical SMILES for bis(2-diphenylphosphanylphenyl)-phenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-diphenylphosphanylphenyl)-phenylphosphane?
The InChIKey is ISBBNYHOCIARJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33P3/c1-6-20-34(21-7-1)43(35-22-8-2-9-23-35)39-30-16-18-32-41(39)45(38-28-14-5-15-29-38)42-33-19-17-31-40(42)44(36-24-10-3-11-25-36)37-26-12-4-13-27-37/h1-33H.
What are the key properties of bis(2-diphenylphosphanylphenyl)-phenylphosphane?
bis(2-diphenylphosphanylphenyl)-phenylphosphane has a molecular weight of 630.65 g/mol, XLogP of 6.96, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylphenyl)-phenylphosphane is sourced from PubChem (CID 6308777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).