bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane

C43H44P2 — CID 98067314

IUPACbis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)C2CCCC2P(c2cccc3ccccc23)c2cccc3ccccc23)c1
InChIInChI=1S/C43H44P2/c1-29-23-30(2)26-36(25-29)44(37-27-31(3)24-32(4)28-37)33(5)38-19-12-22-41(38)45(42-20-10-15-34-13-6-8-17-39(34)42)43-21-11-16-35-14-7-9-18-40(35)43/h6-11,13-18,20-21,23-28,33,38,41H,12,19,22H2,1-5H3/t33-,38?,41?/m0/s1
InChIKeyBVCVBGLXUGAVAF-XGISBARHSA-N
MW622.77 g/mol
LogP10.35
Rot. Bonds7

About bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane

bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane (PubChem CID 98067314) has the molecular formula C43H44P2 and a molecular weight of 622.77 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane
PubChem CID98067314
Molecular FormulaC43H44P2
Molecular Weight622.77 g/mol
Exact Mass622.29
IUPAC Namebis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)C2CCCC2P(c2cccc3ccccc23)c2cccc3ccccc23)c1
InChIInChI=1S/C43H44P2/c1-29-23-30(2)26-36(25-29)44(37-27-31(3)24-32(4)28-37)33(5)38-19-12-22-41(38)45(42-20-10-15-34-13-6-8-17-39(34)42)43-21-11-16-35-14-7-9-18-40(35)43/h6-11,13-18,20-21,23-28,33,38,41H,12,19,22H2,1-5H3/t33-,38?,41?/m0/s1
InChIKeyBVCVBGLXUGAVAF-XGISBARHSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]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 bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane?
The IUPAC name of bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane (CID 98067314) is bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane.
What is the SMILES notation for bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane?
The canonical SMILES for bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)C2CCCC2P(c2cccc3ccccc23)c2cccc3ccccc23)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane?
The InChIKey is BVCVBGLXUGAVAF-XGISBARHSA-N. The full InChI is InChI=1S/C43H44P2/c1-29-23-30(2)26-36(25-29)44(37-27-31(3)24-32(4)28-37)33(5)38-19-12-22-41(38)45(42-20-10-15-34-13-6-8-17-39(34)42)43-21-11-16-35-14-7-9-18-40(35)43/h6-11,13-18,20-21,23-28,33,38,41H,12,19,22H2,1-5H3/t33-,38?,41?/m0/s1.
What are the key properties of bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane?
bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane has a molecular weight of 622.77 g/mol, XLogP of 10.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane is sourced from PubChem (CID 98067314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).