1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane

C42H39AuNP — CID 135008280

IUPAC1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane
SMILES[Au+].[CH2-]C1CC(c2ccccc2)(c2ccccc2)CN1Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N.C18H15P.Au/c1-20-17-24(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-25(20)18-21-11-5-2-6-12-21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2-16,20H,1,17-19H2;1-15H;/q-1;;+1
InChIKeyAYEPEXBUKLLHHT-UHFFFAOYSA-N
MW785.72 g/mol
LogP8.52
Rot. Bonds7

About 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane

1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane (PubChem CID 135008280) has the molecular formula C42H39AuNP and a molecular weight of 785.72 g/mol. Its IUPAC name is 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane.

Molecular Properties

Compound Name1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane
PubChem CID135008280
Molecular FormulaC42H39AuNP
Molecular Weight785.72 g/mol
Exact Mass785.25
IUPAC Name1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane
SMILES[Au+].[CH2-]C1CC(c2ccccc2)(c2ccccc2)CN1Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N.C18H15P.Au/c1-20-17-24(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-25(20)18-21-11-5-2-6-12-21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2-16,20H,1,17-19H2;1-15H;/q-1;;+1
InChIKeyAYEPEXBUKLLHHT-UHFFFAOYSA-N
XLogP8.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.72
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane 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-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane?
The IUPAC name of 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane (CID 135008280) is 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane.
What is the SMILES notation for 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane?
The canonical SMILES for 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane is [Au+].[CH2-]C1CC(c2ccccc2)(c2ccccc2)CN1Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane?
The InChIKey is AYEPEXBUKLLHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N.C18H15P.Au/c1-20-17-24(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-25(20)18-21-11-5-2-6-12-21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2-16,20H,1,17-19H2;1-15H;/q-1;;+1.
What are the key properties of 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane?
1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane has a molecular weight of 785.72 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methanidyl-4,4-diphenylpyrrolidine;gold(1+);triphenylphosphane is sourced from PubChem (CID 135008280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).