3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile

C23H17ClN2 — CID 11428266

IUPAC3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
SMILESN#CC(c1ccccc1)C(c1ccc(Cl)cc1)C(C#N)c1ccccc1
InChIInChI=1S/C23H17ClN2/c24-20-13-11-19(12-14-20)23(21(15-25)17-7-3-1-4-8-17)22(16-26)18-9-5-2-6-10-18/h1-14,21-23H
InChIKeyMEGIWMHINPYFIY-UHFFFAOYSA-N
MW356.86 g/mol
LogP6.04
Rot. Bonds5

About 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile

3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile (PubChem CID 11428266) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
PubChem CID11428266
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
SMILESN#CC(c1ccccc1)C(c1ccc(Cl)cc1)C(C#N)c1ccccc1
InChIInChI=1S/C23H17ClN2/c24-20-13-11-19(12-14-20)23(21(15-25)17-7-3-1-4-8-17)22(16-26)18-9-5-2-6-10-18/h1-14,21-23H
InChIKeyMEGIWMHINPYFIY-UHFFFAOYSA-N
XLogP6.04
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-phenylpentanedinitrile
CID 14202275
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
3-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid
CID 12834926
1-benzhydryl-4-chlorobenzene
CID 13050205
2-(benzenesulfonyl)-2-(4-chlorophenyl)acetonitrile
CID 10424403
3-amino-4-(4-chlorophenyl)-4-cyanobutanoic acid
CID 170872427
3-bromo-2,3-diphenylpropanenitrile
CID 14451941
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-4,4-dimethylpentanenitrile
CID 10799914
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile
CID 6197723
2,4-dimethyl-3-phenylpentanedinitrile
CID 19049764

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile?
The IUPAC name of 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile (CID 11428266) is 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile?
The canonical SMILES for 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile is N#CC(c1ccccc1)C(c1ccc(Cl)cc1)C(C#N)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile?
The InChIKey is MEGIWMHINPYFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-20-13-11-19(12-14-20)23(21(15-25)17-7-3-1-4-8-17)22(16-26)18-9-5-2-6-10-18/h1-14,21-23H.
What are the key properties of 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile?
3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile has a molecular weight of 356.86 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile is sourced from PubChem (CID 11428266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).