(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile

C21H16N2 — CID 57342537

IUPAC(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H16N2/c22-16-19(18-7-3-1-4-8-18)15-17-11-13-21(14-12-17)23-20-9-5-2-6-10-20/h1-15,23H/b19-15+
InChIKeyQZVKEASDISYWSM-XDJHFCHBSA-N
MW296.37 g/mol
LogP5.49
Rot. Bonds4

About (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile

(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile (PubChem CID 57342537) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
PubChem CID57342537
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H16N2/c22-16-19(18-7-3-1-4-8-18)15-17-11-13-21(14-12-17)23-20-9-5-2-6-10-20/h1-15,23H/b19-15+
InChIKeyQZVKEASDISYWSM-XDJHFCHBSA-N
XLogP5.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.49
H-Bond Donors ≤ 51
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

(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-3-[4-(cyclohexylamino)phenyl]-2-phenylprop-2-enenitrile
CID 57342536
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile
CID 76517334
(E)-2-phenyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 21234790
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
CID 892246
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile (CID 57342537) is (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile?
The InChIKey is QZVKEASDISYWSM-XDJHFCHBSA-N. The full InChI is InChI=1S/C21H16N2/c22-16-19(18-7-3-1-4-8-18)15-17-11-13-21(14-12-17)23-20-9-5-2-6-10-20/h1-15,23H/b19-15+.
What are the key properties of (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile?
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile has a molecular weight of 296.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 57342537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).