(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile

C37H26N2 — CID 102262269

IUPAC(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C37H26N2/c38-27-34(31-19-17-30(18-20-31)33-22-21-29-9-7-8-10-32(29)26-33)25-28-15-23-37(24-16-28)39(35-11-3-1-4-12-35)36-13-5-2-6-14-36/h1-26H/b34-25+
InChIKeySCIXFVQIQIDQDR-YQCHCMBFSA-N
MW498.63 g/mol
LogP10.04
Rot. Bonds6

About (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile

(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile (PubChem CID 102262269) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
PubChem CID102262269
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C37H26N2/c38-27-34(31-19-17-30(18-20-31)33-22-21-29-9-7-8-10-32(29)26-33)25-28-15-23-37(24-16-28)39(35-11-3-1-4-12-35)36-13-5-2-6-14-36/h1-26H/b34-25+
InChIKeySCIXFVQIQIDQDR-YQCHCMBFSA-N
XLogP10.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 510.04
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)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
(E)-3-[4-(N-[4-[(Z)-2-cyano-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]anilino)phenyl]-2-(1-methylpyridin-1-ium-4-yl)prop-2-enenitrile
CID 177405596
(Z)-2-[4-[(Z)-1-cyano-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(N-(4-methoxyphenyl)anilino)phenyl]prop-2-enenitrile;methylsulfinylmethane
CID 139204005
2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
3-cyano-3-(4-naphthalen-2-ylphenyl)prop-2-enoic acid
CID 175342510
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile (CID 102262269) is (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile is N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile?
The InChIKey is SCIXFVQIQIDQDR-YQCHCMBFSA-N. The full InChI is InChI=1S/C37H26N2/c38-27-34(31-19-17-30(18-20-31)33-22-21-29-9-7-8-10-32(29)26-33)25-28-15-23-37(24-16-28)39(35-11-3-1-4-12-35)36-13-5-2-6-14-36/h1-26H/b34-25+.
What are the key properties of (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile?
(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile has a molecular weight of 498.63 g/mol, XLogP of 10.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile is sourced from PubChem (CID 102262269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).