4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile

C37H26N2 — CID 118675019

IUPAC4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(Nc3ccccc3-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C37H26N2/c38-26-27-16-18-29(19-17-27)30-20-22-35(23-21-30)39-37-15-5-4-14-36(37)34-13-7-12-33(25-34)32-11-6-10-31(24-32)28-8-2-1-3-9-28/h1-25,39H
InChIKeyYDKICWCVGDTACF-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.97
Rot. Bonds6

About 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile

4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile (PubChem CID 118675019) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
PubChem CID118675019
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(Nc3ccccc3-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C37H26N2/c38-26-27-16-18-29(19-17-27)30-20-22-35(23-21-30)39-37-15-5-4-14-36(37)34-13-7-12-33(25-34)32-11-6-10-31(24-32)28-8-2-1-3-9-28/h1-25,39H
InChIKeyYDKICWCVGDTACF-UHFFFAOYSA-N
XLogP9.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118682618
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
4-[3-[12-[3-(4-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
CID 89036157
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118675145
benzene;N,2-diphenylaniline
CID 175029921

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile (CID 118675019) is 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(Nc3ccccc3-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
The InChIKey is YDKICWCVGDTACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c38-26-27-16-18-29(19-17-27)30-20-22-35(23-21-30)39-37-15-5-4-14-36(37)34-13-7-12-33(25-34)32-11-6-10-31(24-32)28-8-2-1-3-9-28/h1-25,39H.
What are the key properties of 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile has a molecular weight of 498.63 g/mol, XLogP of 9.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile is sourced from PubChem (CID 118675019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).