1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine

C38H59NP2 — CID 176507821

IUPAC1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(C1=CCC=C1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H59NP2/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h15-16,26-33,38H,3-14,17-25H2,1-2H3
InChIKeySHUWTUCCWFNIHG-UHFFFAOYSA-N
MW591.85 g/mol
LogP11.42
Rot. Bonds9

About 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine

1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine (PubChem CID 176507821) has the molecular formula C38H59NP2 and a molecular weight of 591.85 g/mol. Its IUPAC name is 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine
PubChem CID176507821
Molecular FormulaC38H59NP2
Molecular Weight591.85 g/mol
Exact Mass591.41
IUPAC Name1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(C1=CCC=C1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H59NP2/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h15-16,26-33,38H,3-14,17-25H2,1-2H3
InChIKeySHUWTUCCWFNIHG-UHFFFAOYSA-N
XLogP11.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.85
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine 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-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine (CID 176507821) is 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine is CN(C)C(C1=CCC=C1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine?
The InChIKey is SHUWTUCCWFNIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H59NP2/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h15-16,26-33,38H,3-14,17-25H2,1-2H3.
What are the key properties of 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine?
1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine has a molecular weight of 591.85 g/mol, XLogP of 11.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 176507821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).