(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile

C34H26N4 — CID 92530275

IUPAC(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
SMILESN#C[C@](Cc1ccc(C[C@](C#N)(c2ccccc2)c2ccccn2)cc1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C34H26N4/c35-25-33(29-11-3-1-4-12-29,31-15-7-9-21-37-31)23-27-17-19-28(20-18-27)24-34(26-36,30-13-5-2-6-14-30)32-16-8-10-22-38-32/h1-22H,23-24H2/t33-,34+
InChIKeySPAPFXIWIAYYAT-AQOUDTPCSA-N
MW490.61 g/mol
LogP6.58
Rot. Bonds8

About (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile

(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile (PubChem CID 92530275) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
PubChem CID92530275
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
SMILESN#C[C@](Cc1ccc(C[C@](C#N)(c2ccccc2)c2ccccn2)cc1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C34H26N4/c35-25-33(29-11-3-1-4-12-29,31-15-7-9-21-37-31)23-27-17-19-28(20-18-27)24-34(26-36,30-13-5-2-6-14-30)32-16-8-10-22-38-32/h1-22H,23-24H2/t33-,34+
InChIKeySPAPFXIWIAYYAT-AQOUDTPCSA-N
XLogP6.58
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 23339927
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile
CID 134106391
2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile;hydrochloride
CID 163339067
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenyl-2-pyridin-2-ylbutanenitrile
CID 154155062
2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile
CID 74221716
N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide
CID 13465999
2-[dichloro(phenyl)methyl]pyridine
CID 25254083
2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
CID 23584919
3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile
CID 70629696
2,2-diphenylpent-4-enenitrile
CID 10681154
2-(4-benzylheptan-4-yl)pyridine
CID 122207930

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile?
The IUPAC name of (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile (CID 92530275) is (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile is N#C[C@](Cc1ccc(C[C@](C#N)(c2ccccc2)c2ccccn2)cc1)(c1ccccc1)c1ccccn1.
What is the InChIKey of (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile?
The InChIKey is SPAPFXIWIAYYAT-AQOUDTPCSA-N. The full InChI is InChI=1S/C34H26N4/c35-25-33(29-11-3-1-4-12-29,31-15-7-9-21-37-31)23-27-17-19-28(20-18-27)24-34(26-36,30-13-5-2-6-14-30)32-16-8-10-22-38-32/h1-22H,23-24H2/t33-,34+.
What are the key properties of (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile?
(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile has a molecular weight of 490.61 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 92530275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).