2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile

C31H28N2 — CID 15877012

IUPAC2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile
SMILESCc1ccc(C2NC(c3ccc(C)cc3)C(C#N)(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C31H28N2/c1-22-13-17-25(18-14-22)29-28(24-9-5-3-6-10-24)31(21-32,27-11-7-4-8-12-27)30(33-29)26-19-15-23(2)16-20-26/h3-20,28-30,33H,1-2H3
InChIKeyZPCYGBNNAMIJMI-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.93
Rot. Bonds4

About 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile

2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile (PubChem CID 15877012) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile
PubChem CID15877012
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile
SMILESCc1ccc(C2NC(c3ccc(C)cc3)C(C#N)(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C31H28N2/c1-22-13-17-25(18-14-22)29-28(24-9-5-3-6-10-24)31(21-32,27-11-7-4-8-12-27)30(33-29)26-19-15-23(2)16-20-26/h3-20,28-30,33H,1-2H3
InChIKeyZPCYGBNNAMIJMI-UHFFFAOYSA-N
XLogP6.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
CID 27046824
(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10891528
1-(2,2-diphenylcyclobutyl)-4-methylbenzene
CID 175322057
(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile
CID 138970589
(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile
CID 167030258
(2R,3R)-3-phenylaziridine-2-carbonitrile
CID 13181977
(2S,3S,4S,6S)-3-benzoyl-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenylcyclohexane-1,1-dicarbonitrile
CID 26475608
(2S,3R,4R,6S)-3-benzoyl-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenylcyclohexane-1,1-dicarbonitrile
CID 100884599
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
3-phenyltricyclo[3.2.2.02,4]non-8-ene-3,6,6,7,7-pentacarbonitrile
CID 606327
(2R,3S)-5,6,8,9-tetrachloro-2-(4-methylphenyl)-3-phenyl-1-oxaspiro[3.5]nona-5,8-dien-7-one
CID 100966292
methyl (2R,3R,5S)-4,4-dicyano-5-(4-methylphenyl)-3-pyridin-3-ylpyrrolidine-2-carboxylate
CID 135026537

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile?
The IUPAC name of 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile (CID 15877012) is 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile?
The canonical SMILES for 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile is Cc1ccc(C2NC(c3ccc(C)cc3)C(C#N)(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile?
The InChIKey is ZPCYGBNNAMIJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-22-13-17-25(18-14-22)29-28(24-9-5-3-6-10-24)31(21-32,27-11-7-4-8-12-27)30(33-29)26-19-15-23(2)16-20-26/h3-20,28-30,33H,1-2H3.
What are the key properties of 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile?
2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile has a molecular weight of 428.58 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylphenyl)-3,4-diphenylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 15877012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).