(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane

C33H30P2 — CID 141367967

IUPAC(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
SMILESc1ccc(C(CCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30P2/c1-6-16-28(17-7-1)33(35(31-22-12-4-13-23-31)32-24-14-5-15-25-32)26-27-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25,33H,26-27H2
InChIKeyWNYFMCPSZPVYEL-UHFFFAOYSA-N
MW488.55 g/mol
LogP7.38
Rot. Bonds9

About (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane

(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane (PubChem CID 141367967) has the molecular formula C33H30P2 and a molecular weight of 488.55 g/mol. Its IUPAC name is (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
PubChem CID141367967
Molecular FormulaC33H30P2
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC Name(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
SMILESc1ccc(C(CCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30P2/c1-6-16-28(17-7-1)33(35(31-22-12-4-13-23-31)32-24-14-5-15-25-32)26-27-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25,33H,26-27H2
InChIKeyWNYFMCPSZPVYEL-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane with MolForge

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

Launch Full Analysis

Related Compounds

[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
3-diphenylphosphanyl-3-phenylpropanoic acid
CID 11759426
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
CID 139228240
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
CID 11967242
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469
[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
CID 101382224
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane?
The IUPAC name of (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane (CID 141367967) is (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane.
What is the SMILES notation for (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane?
The canonical SMILES for (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane is c1ccc(C(CCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane?
The InChIKey is WNYFMCPSZPVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30P2/c1-6-16-28(17-7-1)33(35(31-22-12-4-13-23-31)32-24-14-5-15-25-32)26-27-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25,33H,26-27H2.
What are the key properties of (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane?
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane has a molecular weight of 488.55 g/mol, XLogP of 7.38, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane is sourced from PubChem (CID 141367967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).