4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile

C32H22N4 — CID 156903762

IUPAC4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N(c2ccccc2)c2ccccc2)cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H22N4/c33-23-25-21-26(24-34)32(36(29-17-9-3-10-18-29)30-19-11-4-12-20-30)22-31(25)35(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-22H
InChIKeyUKLFDLDPFDTYHS-UHFFFAOYSA-N
MW462.56 g/mol
LogP8.37
Rot. Bonds6

About 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile

4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile (PubChem CID 156903762) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
PubChem CID156903762
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N(c2ccccc2)c2ccccc2)cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H22N4/c33-23-25-21-26(24-34)32(36(29-17-9-3-10-18-29)30-19-11-4-12-20-30)22-31(25)35(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-22H
InChIKeyUKLFDLDPFDTYHS-UHFFFAOYSA-N
XLogP8.37
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-[3-(N-[2-cyano-5-(N-phenylanilino)phenyl]anilino)phenyl]anilino)-4-(N-phenylanilino)benzonitrile
CID 157175807
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
2-[3-(2-cyanophenyl)-2-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]benzonitrile
CID 122435878
5-(N-[6-(N-(3-cyano-4-fluorophenyl)anilino)pyren-1-yl]anilino)-2-fluorobenzonitrile
CID 72534390
2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 57074916
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
2-fluoro-3-isocyano-4-(N-phenylanilino)benzonitrile
CID 140701402
5-chloro-2-(N-ethylanilino)benzonitrile
CID 63509917
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
CID 118410708
5-amino-2-(N-methylanilino)benzonitrile
CID 61285979

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile (CID 156903762) is 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(N(c2ccccc2)c2ccccc2)cc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile?
The InChIKey is UKLFDLDPFDTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c33-23-25-21-26(24-34)32(36(29-17-9-3-10-18-29)30-19-11-4-12-20-30)22-31(25)35(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-22H.
What are the key properties of 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile?
4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile has a molecular weight of 462.56 g/mol, XLogP of 8.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 156903762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).