(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile

C19H17N — CID 135010938

IUPAC(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile
SMILESC/C(C#N)=C(C)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N/c1-15(14-20)16(2)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-13H,1-2H3/b16-15-,19-13-
InChIKeyFMZUFNUFENQYDY-RHPWFBRESA-N
MW259.35 g/mol
LogP5.09
Rot. Bonds3

About (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile

(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile (PubChem CID 135010938) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile
PubChem CID135010938
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile
SMILESC/C(C#N)=C(C)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N/c1-15(14-20)16(2)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-13H,1-2H3/b16-15-,19-13-
InChIKeyFMZUFNUFENQYDY-RHPWFBRESA-N
XLogP5.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
2-benzylidene-4-methylpent-3-enenitrile
CID 71357949
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(3E,5Z)-4-methyl-5,6-diphenylhexa-3,5-dien-1-ol
CID 101399706
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile (CID 135010938) is (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile is C/C(C#N)=C(C)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile?
The InChIKey is FMZUFNUFENQYDY-RHPWFBRESA-N. The full InChI is InChI=1S/C19H17N/c1-15(14-20)16(2)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-13H,1-2H3/b16-15-,19-13-.
What are the key properties of (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile?
(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile has a molecular weight of 259.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile is sourced from PubChem (CID 135010938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).