(3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane

C31H30P2 — CID 3311489

IUPAC(3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C2C3CCC(C3)C2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2
InChIKeyLBNIIIAVAIZHKJ-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.42
Rot. Bonds6

About (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane

(3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane (PubChem CID 3311489) has the molecular formula C31H30P2 and a molecular weight of 464.53 g/mol. Its IUPAC name is (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane
PubChem CID3311489
Molecular FormulaC31H30P2
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name(3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C2C3CCC(C3)C2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2
InChIKeyLBNIIIAVAIZHKJ-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane?
The IUPAC name of (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane (CID 3311489) is (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane.
What is the SMILES notation for (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane?
The canonical SMILES for (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane is c1ccc(P(c2ccccc2)C2C3CCC(C3)C2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane?
The InChIKey is LBNIIIAVAIZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2.
What are the key properties of (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane?
(3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane has a molecular weight of 464.53 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl)-diphenylphosphane is sourced from PubChem (CID 3311489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).