[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

C44H42P2 — CID 58567960

IUPAC[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
SMILESCCc1ccc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3c2CCCC3)c1CC
InChIInChI=1S/C44H42P2/c1-3-33-29-31-41(45(35-20-9-5-10-21-35)36-22-11-6-12-23-36)43(39(33)4-2)44-40-28-18-17-19-34(40)30-32-42(44)46(37-24-13-7-14-25-37)38-26-15-8-16-27-38/h5-16,20-27,29-32H,3-4,17-19,28H2,1-2H3
InChIKeyYWFYHJJUGJPXPS-UHFFFAOYSA-N
MW632.77 g/mol
LogP8.87
Rot. Bonds9

About [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane (PubChem CID 58567960) has the molecular formula C44H42P2 and a molecular weight of 632.77 g/mol. Its IUPAC name is [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
PubChem CID58567960
Molecular FormulaC44H42P2
Molecular Weight632.77 g/mol
Exact Mass632.28
IUPAC Name[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
SMILESCCc1ccc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3c2CCCC3)c1CC
InChIInChI=1S/C44H42P2/c1-3-33-29-31-41(45(35-20-9-5-10-21-35)36-22-11-6-12-23-36)43(39(33)4-2)44-40-28-18-17-19-34(40)30-32-42(44)46(37-24-13-7-14-25-37)38-26-15-8-16-27-38/h5-16,20-27,29-32H,3-4,17-19,28H2,1-2H3
InChIKeyYWFYHJJUGJPXPS-UHFFFAOYSA-N
XLogP8.87
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 ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-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 [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane (CID 58567960) is [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane is CCc1ccc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3c2CCCC3)c1CC.
What is the InChIKey of [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The InChIKey is YWFYHJJUGJPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42P2/c1-3-33-29-31-41(45(35-20-9-5-10-21-35)36-22-11-6-12-23-36)43(39(33)4-2)44-40-28-18-17-19-34(40)30-32-42(44)46(37-24-13-7-14-25-37)38-26-15-8-16-27-38/h5-16,20-27,29-32H,3-4,17-19,28H2,1-2H3.
What are the key properties of [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane has a molecular weight of 632.77 g/mol, XLogP of 8.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 58567960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).