[2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane

C44H42P2 — CID 123859117

IUPAC[2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane
SMILESCCc1cccc(P(c2ccccc2)c2ccccc2)c1C1(CC)c2c(cccc2P(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C44H42P2/c1-4-34-20-18-30-40(45(36-22-10-6-11-23-36)37-24-12-7-13-25-37)42(34)44(5-2)33(3)32-35-21-19-31-41(43(35)44)46(38-26-14-8-15-27-38)39-28-16-9-17-29-39/h6-31,33H,4-5,32H2,1-3H3
InChIKeyIQMADNLBTLCWEI-UHFFFAOYSA-N
MW632.77 g/mol
LogP8.65
Rot. Bonds9

About [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane

[2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane (PubChem CID 123859117) has the molecular formula C44H42P2 and a molecular weight of 632.77 g/mol. Its IUPAC name is [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane
PubChem CID123859117
Molecular FormulaC44H42P2
Molecular Weight632.77 g/mol
Exact Mass632.28
IUPAC Name[2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane
SMILESCCc1cccc(P(c2ccccc2)c2ccccc2)c1C1(CC)c2c(cccc2P(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C44H42P2/c1-4-34-20-18-30-40(45(36-22-10-6-11-23-36)37-24-12-7-13-25-37)42(34)44(5-2)33(3)32-35-21-19-31-41(43(35)44)46(38-26-14-8-15-27-38)39-28-16-9-17-29-39/h6-31,33H,4-5,32H2,1-3H3
InChIKeyIQMADNLBTLCWEI-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-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 [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane?
The IUPAC name of [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane (CID 123859117) is [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane?
The canonical SMILES for [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane is CCc1cccc(P(c2ccccc2)c2ccccc2)c1C1(CC)c2c(cccc2P(c2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane?
The InChIKey is IQMADNLBTLCWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42P2/c1-4-34-20-18-30-40(45(36-22-10-6-11-23-36)37-24-12-7-13-25-37)42(34)44(5-2)33(3)32-35-21-19-31-41(43(35)44)46(38-26-14-8-15-27-38)39-28-16-9-17-29-39/h6-31,33H,4-5,32H2,1-3H3.
What are the key properties of [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane?
[2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane has a molecular weight of 632.77 g/mol, XLogP of 8.65, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-diphenylphosphanyl-1-ethyl-2-methyl-2,3-dihydroinden-1-yl)-3-ethylphenyl]-diphenylphosphane is sourced from PubChem (CID 123859117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).