(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile

C36H24N2 — CID 59189377

IUPAC(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(/C(C#N)=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H24N2/c37-25-35(23-27-11-15-31(16-12-27)29-7-3-1-4-8-29)33-19-21-34(22-20-33)36(26-38)24-28-13-17-32(18-14-28)30-9-5-2-6-10-30/h1-24H/b35-23+,36-24+
InChIKeyBEXOXMOAFLBNNI-VJTPSNAYSA-N
MW484.60 g/mol
LogP9.15
Rot. Bonds6

About (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile

(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile (PubChem CID 59189377) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
PubChem CID59189377
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(/C(C#N)=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H24N2/c37-25-35(23-27-11-15-31(16-12-27)29-7-3-1-4-8-29)33-19-21-34(22-20-33)36(26-38)24-28-13-17-32(18-14-28)30-9-5-2-6-10-30/h1-24H/b35-23+,36-24+
InChIKeyBEXOXMOAFLBNNI-VJTPSNAYSA-N
XLogP9.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.15
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile (CID 59189377) is (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(/C(C#N)=C/c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile?
The InChIKey is BEXOXMOAFLBNNI-VJTPSNAYSA-N. The full InChI is InChI=1S/C36H24N2/c37-25-35(23-27-11-15-31(16-12-27)29-7-3-1-4-8-29)33-19-21-34(22-20-33)36(26-38)24-28-13-17-32(18-14-28)30-9-5-2-6-10-30/h1-24H/b35-23+,36-24+.
What are the key properties of (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile?
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile has a molecular weight of 484.60 g/mol, XLogP of 9.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile is sourced from PubChem (CID 59189377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).