[5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane

C32H24P2S2 — CID 5231833

IUPAC[5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3ccc(P(c4ccccc4)c4ccccc4)s3)s2)cc1
InChIInChI=1S/C32H24P2S2/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-21-29(35-31)30-22-24-32(36-30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyBEINYDCSTOIYNH-UHFFFAOYSA-N
MW534.63 g/mol
LogP6.99
Rot. Bonds7

About [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane

[5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane (PubChem CID 5231833) has the molecular formula C32H24P2S2 and a molecular weight of 534.63 g/mol. Its IUPAC name is [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane
PubChem CID5231833
Molecular FormulaC32H24P2S2
Molecular Weight534.63 g/mol
Exact Mass534.08
IUPAC Name[5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3ccc(P(c4ccccc4)c4ccccc4)s3)s2)cc1
InChIInChI=1S/C32H24P2S2/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-21-29(35-31)30-22-24-32(36-30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyBEINYDCSTOIYNH-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.63
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-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 [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane?
The IUPAC name of [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane (CID 5231833) is [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane.
What is the SMILES notation for [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane?
The canonical SMILES for [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(-c3ccc(P(c4ccccc4)c4ccccc4)s3)s2)cc1.
What is the InChIKey of [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane?
The InChIKey is BEINYDCSTOIYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24P2S2/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-21-29(35-31)30-22-24-32(36-30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H.
What are the key properties of [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane?
[5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane has a molecular weight of 534.63 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-diphenylphosphanylthiophen-2-yl)thiophen-2-yl]-diphenylphosphane is sourced from PubChem (CID 5231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).