(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane

C30H30Cl2O2P2 — CID 23044751

IUPAC(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane
SMILESCCOc1ccccc1P(CCP(c1ccc(Cl)cc1)c1ccccc1OCC)c1ccc(Cl)cc1
InChIInChI=1S/C30H30Cl2O2P2/c1-3-33-27-9-5-7-11-29(27)35(25-17-13-23(31)14-18-25)21-22-36(26-19-15-24(32)16-20-26)30-12-8-6-10-28(30)34-4-2/h5-20H,3-4,21-22H2,1-2H3
InChIKeyDWRBJAXTAGXGHF-UHFFFAOYSA-N
MW555.42 g/mol
LogP7.36
Rot. Bonds11

About (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane

(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane (PubChem CID 23044751) has the molecular formula C30H30Cl2O2P2 and a molecular weight of 555.42 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane
PubChem CID23044751
Molecular FormulaC30H30Cl2O2P2
Molecular Weight555.42 g/mol
Exact Mass554.11
IUPAC Name(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane
SMILESCCOc1ccccc1P(CCP(c1ccc(Cl)cc1)c1ccccc1OCC)c1ccc(Cl)cc1
InChIInChI=1S/C30H30Cl2O2P2/c1-3-33-27-9-5-7-11-29(27)35(25-17-13-23(31)14-18-25)21-22-36(26-19-15-24(32)16-20-26)30-12-8-6-10-28(30)34-4-2/h5-20H,3-4,21-22H2,1-2H3
InChIKeyDWRBJAXTAGXGHF-UHFFFAOYSA-N
XLogP7.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.42
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)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 (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane?
The IUPAC name of (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane (CID 23044751) is (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane.
What is the SMILES notation for (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane?
The canonical SMILES for (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane is CCOc1ccccc1P(CCP(c1ccc(Cl)cc1)c1ccccc1OCC)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane?
The InChIKey is DWRBJAXTAGXGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2O2P2/c1-3-33-27-9-5-7-11-29(27)35(25-17-13-23(31)14-18-25)21-22-36(26-19-15-24(32)16-20-26)30-12-8-6-10-28(30)34-4-2/h5-20H,3-4,21-22H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane?
(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane has a molecular weight of 555.42 g/mol, XLogP of 7.36, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane is sourced from PubChem (CID 23044751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).