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

C43H30N2 — CID 118682618

IUPAC4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(Nc3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C43H30N2/c44-30-31-17-19-33(20-18-31)39-15-8-16-41(28-39)45-43-26-25-40(29-42(43)36-11-5-2-6-12-36)35-23-21-34(22-24-35)38-14-7-13-37(27-38)32-9-3-1-4-10-32/h1-29,45H
InChIKeyMGVMLGSFXUAUBW-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.64
Rot. Bonds7

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

4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile (PubChem CID 118682618) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
PubChem CID118682618
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(Nc3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C43H30N2/c44-30-31-17-19-33(20-18-31)39-15-8-16-41(28-39)45-43-26-25-40(29-42(43)36-11-5-2-6-12-36)35-23-21-34(22-24-35)38-14-7-13-37(27-38)32-9-3-1-4-10-32/h1-29,45H
InChIKeyMGVMLGSFXUAUBW-UHFFFAOYSA-N
XLogP11.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118675019
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile
CID 129238384
4-(naphthalen-2-ylamino)-3-phenylbenzonitrile
CID 156578443
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
4-[7-[3-(2,4-diphenylphenyl)phenyl]triphenylen-2-yl]benzonitrile
CID 139394624
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
The IUPAC name of 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile (CID 118682618) is 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile.
What is the SMILES notation for 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
The canonical SMILES for 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile is N#Cc1ccc(-c2cccc(Nc3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
The InChIKey is MGVMLGSFXUAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c44-30-31-17-19-33(20-18-31)39-15-8-16-41(28-39)45-43-26-25-40(29-42(43)36-11-5-2-6-12-36)35-23-21-34(22-24-35)38-14-7-13-37(27-38)32-9-3-1-4-10-32/h1-29,45H.
What are the key properties of 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile?
4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile has a molecular weight of 574.73 g/mol, XLogP of 11.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile is sourced from PubChem (CID 118682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).