3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane

C35H42P2 — CID 139928183

IUPAC3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane
SMILESCCc1cccc(P(CCCP(c2cccc(CC)c2)c2cccc(CC)c2)c2cccc(CC)c2)c1
InChIInChI=1S/C35H42P2/c1-5-28-14-9-18-32(24-28)36(33-19-10-15-29(6-2)25-33)22-13-23-37(34-20-11-16-30(7-3)26-34)35-21-12-17-31(8-4)27-35/h9-12,14-21,24-27H,5-8,13,22-23H2,1-4H3
InChIKeyFGUDPJGTLPDSSU-UHFFFAOYSA-N
MW524.67 g/mol
LogP7.89
Rot. Bonds12

About 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane

3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane (PubChem CID 139928183) has the molecular formula C35H42P2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane.

Molecular Properties

Compound Name3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane
PubChem CID139928183
Molecular FormulaC35H42P2
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC Name3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane
SMILESCCc1cccc(P(CCCP(c2cccc(CC)c2)c2cccc(CC)c2)c2cccc(CC)c2)c1
InChIInChI=1S/C35H42P2/c1-5-28-14-9-18-32(24-28)36(33-19-10-15-29(6-2)25-33)22-13-23-37(34-20-11-16-30(7-3)26-34)35-21-12-17-31(8-4)27-35/h9-12,14-21,24-27H,5-8,13,22-23H2,1-4H3
InChIKeyFGUDPJGTLPDSSU-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane 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-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane?
The IUPAC name of 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane (CID 139928183) is 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane.
What is the SMILES notation for 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane?
The canonical SMILES for 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane is CCc1cccc(P(CCCP(c2cccc(CC)c2)c2cccc(CC)c2)c2cccc(CC)c2)c1.
What is the InChIKey of 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane?
The InChIKey is FGUDPJGTLPDSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42P2/c1-5-28-14-9-18-32(24-28)36(33-19-10-15-29(6-2)25-33)22-13-23-37(34-20-11-16-30(7-3)26-34)35-21-12-17-31(8-4)27-35/h9-12,14-21,24-27H,5-8,13,22-23H2,1-4H3.
What are the key properties of 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane?
3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane has a molecular weight of 524.67 g/mol, XLogP of 7.89, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(3-ethylphenyl)phosphanylpropyl-bis(3-ethylphenyl)phosphane is sourced from PubChem (CID 139928183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).