2,5-diphenylhex-2-enedinitrile

C18H14N2 — CID 67423079

IUPAC2,5-diphenylhex-2-enedinitrile
SMILESN#CC(=CCC(C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N2/c19-13-17(15-7-3-1-4-8-15)11-12-18(14-20)16-9-5-2-6-10-16/h1-11,18H,12H2
InChIKeySHGBXCLNMZMACS-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.29
Rot. Bonds4

About 2,5-diphenylhex-2-enedinitrile

2,5-diphenylhex-2-enedinitrile (PubChem CID 67423079) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,5-diphenylhex-2-enedinitrile.

Molecular Properties

Compound Name2,5-diphenylhex-2-enedinitrile
PubChem CID67423079
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2,5-diphenylhex-2-enedinitrile
SMILESN#CC(=CCC(C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N2/c19-13-17(15-7-3-1-4-8-15)11-12-18(14-20)16-9-5-2-6-10-16/h1-11,18H,12H2
InChIKeySHGBXCLNMZMACS-UHFFFAOYSA-N
XLogP4.29
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-phenylhex-2-enenitrile
CID 5463415
3-hydroxy-2-phenylpropanenitrile
CID 11008065
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile
CID 6197723
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile
CID 14221080
ethane;2-phenylbutanenitrile
CID 91343198
4-bromo-2-phenylbutanenitrile
CID 21424265
2-phenylpent-4-ynenitrile
CID 121216433
4-(2-cyano-2-phenylethyl)benzoic acid
CID 82139669
potassium (3S)-3-cyano-3-phenylpropanoate
CID 44817960

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylhex-2-enedinitrile?
The IUPAC name of 2,5-diphenylhex-2-enedinitrile (CID 67423079) is 2,5-diphenylhex-2-enedinitrile.
What is the SMILES notation for 2,5-diphenylhex-2-enedinitrile?
The canonical SMILES for 2,5-diphenylhex-2-enedinitrile is N#CC(=CCC(C#N)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-diphenylhex-2-enedinitrile?
The InChIKey is SHGBXCLNMZMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c19-13-17(15-7-3-1-4-8-15)11-12-18(14-20)16-9-5-2-6-10-16/h1-11,18H,12H2.
What are the key properties of 2,5-diphenylhex-2-enedinitrile?
2,5-diphenylhex-2-enedinitrile has a molecular weight of 258.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenylhex-2-enedinitrile is sourced from PubChem (CID 67423079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).