2-[4-(N-phenylanilino)phenyl]benzonitrile

C25H18N2 — CID 53473408

IUPAC2-[4-(N-phenylanilino)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H18N2/c26-19-21-9-7-8-14-25(21)20-15-17-24(18-16-20)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-18H
InChIKeyIEVAYWJSYVXZRZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.70
Rot. Bonds4

About 2-[4-(N-phenylanilino)phenyl]benzonitrile

2-[4-(N-phenylanilino)phenyl]benzonitrile (PubChem CID 53473408) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-(N-phenylanilino)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(N-phenylanilino)phenyl]benzonitrile
PubChem CID53473408
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name2-[4-(N-phenylanilino)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H18N2/c26-19-21-9-7-8-14-25(21)20-15-17-24(18-16-20)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-18H
InChIKeyIEVAYWJSYVXZRZ-UHFFFAOYSA-N
XLogP6.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-cyanophenyl)-2-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]benzonitrile
CID 122435878
2-[4-(dipropylamino)phenyl]benzonitrile
CID 118401021
2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile
CID 172797164
9,20-bis[4-(N-phenylanilino)phenyl]hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene-14,15-dicarbonitrile
CID 59805341
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
CID 118410708
2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
CID 130352968
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
2-[4-[3,5-bis[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]-3,5-bis(2-cyanophenyl)phenyl]benzonitrile
CID 122430970
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561
2-[4-[[bis[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]phenyl]benzonitrile
CID 90994167

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-phenylanilino)phenyl]benzonitrile?
The IUPAC name of 2-[4-(N-phenylanilino)phenyl]benzonitrile (CID 53473408) is 2-[4-(N-phenylanilino)phenyl]benzonitrile.
What is the SMILES notation for 2-[4-(N-phenylanilino)phenyl]benzonitrile?
The canonical SMILES for 2-[4-(N-phenylanilino)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(N-phenylanilino)phenyl]benzonitrile?
The InChIKey is IEVAYWJSYVXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c26-19-21-9-7-8-14-25(21)20-15-17-24(18-16-20)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-18H.
What are the key properties of 2-[4-(N-phenylanilino)phenyl]benzonitrile?
2-[4-(N-phenylanilino)phenyl]benzonitrile has a molecular weight of 346.43 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-phenylanilino)phenyl]benzonitrile is sourced from PubChem (CID 53473408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).