(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile

C24H18N2 — CID 102432423

IUPAC(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile
SMILESCn1cc(/C(=C(\C#N)c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H18N2/c1-26-17-22(20-14-8-9-15-23(20)26)24(19-12-6-3-7-13-19)21(16-25)18-10-4-2-5-11-18/h2-15,17H,1H3/b24-21+
InChIKeyDKYJZRUOYKKHPZ-DARPEHSRSA-N
MW334.42 g/mol
LogP5.66
Rot. Bonds3

About (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile

(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile (PubChem CID 102432423) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile
PubChem CID102432423
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile
SMILESCn1cc(/C(=C(\C#N)c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H18N2/c1-26-17-22(20-14-8-9-15-23(20)26)24(19-12-6-3-7-13-19)21(16-25)18-10-4-2-5-11-18/h2-15,17H,1H3/b24-21+
InChIKeyDKYJZRUOYKKHPZ-DARPEHSRSA-N
XLogP5.66
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-pentylindol-3-yl)-2,3-diphenylprop-2-enenitrile
CID 102432430
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile
CID 10916023
(E)-3-amino-3-(1-methylindol-3-yl)prop-2-enenitrile
CID 135085316
(E)-3-(2-hydroxyphenyl)-2-(1-methylindole-3-carbonyl)prop-2-enenitrile
CID 90671696
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-methylindole-3-carbothioic S-acid
CID 116918837
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
CID 162674472
1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921524
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile (CID 102432423) is (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile is Cn1cc(/C(=C(\C#N)c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile?
The InChIKey is DKYJZRUOYKKHPZ-DARPEHSRSA-N. The full InChI is InChI=1S/C24H18N2/c1-26-17-22(20-14-8-9-15-23(20)26)24(19-12-6-3-7-13-19)21(16-25)18-10-4-2-5-11-18/h2-15,17H,1H3/b24-21+.
What are the key properties of (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile?
(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile has a molecular weight of 334.42 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile is sourced from PubChem (CID 102432423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).