(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile

C26H22N2 — CID 6197723

IUPAC(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile
SMILESCC(/C=C(\C#N)c1ccccc1)C(c1ccccc1)C(C#N)c1ccccc1
InChIInChI=1S/C26H22N2/c1-20(17-24(18-27)21-11-5-2-6-12-21)26(23-15-9-4-10-16-23)25(19-28)22-13-7-3-8-14-22/h2-17,20,25-26H,1H3/b24-17+
InChIKeyKIDPSLOZAJOXQR-JJIBRWJFSA-N
MW362.48 g/mol
LogP6.32
Rot. Bonds6

About (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile

(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile (PubChem CID 6197723) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile.

Molecular Properties

Compound Name(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile
PubChem CID6197723
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile
SMILESCC(/C=C(\C#N)c1ccccc1)C(c1ccccc1)C(C#N)c1ccccc1
InChIInChI=1S/C26H22N2/c1-20(17-24(18-27)21-11-5-2-6-12-21)26(23-15-9-4-10-16-23)25(19-28)22-13-7-3-8-14-22/h2-17,20,25-26H,1H3/b24-17+
InChIKeyKIDPSLOZAJOXQR-JJIBRWJFSA-N
XLogP6.32
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.32
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

(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
2,5-diphenylhex-2-enedinitrile
CID 67423079
3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
CID 11428266
2,4-dimethyl-3-phenylpentanedinitrile
CID 19049764
2-phenyl-3-propan-2-ylsulfonylprop-2-enenitrile
CID 67333624
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
ethane;2-phenylpropanenitrile
CID 91366777
[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
CID 5378828
4-oxo-2-phenylpent-2-enenitrile
CID 91279412
(Z)-2-phenylhex-2-enenitrile
CID 5463415
(Z)-2-(4-bromophenyl)-4-methylpent-2-enenitrile
CID 58719896
2-(4-methylphenyl)-3-phenylbutanenitrile
CID 82140186

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile?
The IUPAC name of (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile (CID 6197723) is (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile.
What is the SMILES notation for (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile?
The canonical SMILES for (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile is CC(/C=C(\C#N)c1ccccc1)C(c1ccccc1)C(C#N)c1ccccc1.
What is the InChIKey of (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile?
The InChIKey is KIDPSLOZAJOXQR-JJIBRWJFSA-N. The full InChI is InChI=1S/C26H22N2/c1-20(17-24(18-27)21-11-5-2-6-12-21)26(23-15-9-4-10-16-23)25(19-28)22-13-7-3-8-14-22/h2-17,20,25-26H,1H3/b24-17+.
What are the key properties of (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile?
(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile has a molecular weight of 362.48 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile is sourced from PubChem (CID 6197723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).