4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile

C25H17BrN2 — CID 90130289

IUPAC4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H17BrN2/c26-22-10-16-25(17-11-22)28(23-12-6-19(18-27)7-13-23)24-14-8-21(9-15-24)20-4-2-1-3-5-20/h1-17H
InChIKeyLNNCKYFKCNMRHH-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.46
Rot. Bonds4

About 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile

4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile (PubChem CID 90130289) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile.

Molecular Properties

Compound Name4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile
PubChem CID90130289
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC Name4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H17BrN2/c26-22-10-16-25(17-11-22)28(23-12-6-19(18-27)7-13-23)24-14-8-21(9-15-24)20-4-2-1-3-5-20/h1-17H
InChIKeyLNNCKYFKCNMRHH-UHFFFAOYSA-N
XLogP7.46
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
CID 90126936
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
4-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159014382

Frequently Asked Questions

What is the IUPAC name of 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile?
The IUPAC name of 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile (CID 90130289) is 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile.
What is the SMILES notation for 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile?
The canonical SMILES for 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile is N#Cc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile?
The InChIKey is LNNCKYFKCNMRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-22-10-16-25(17-11-22)28(23-12-6-19(18-27)7-13-23)24-14-8-21(9-15-24)20-4-2-1-3-5-20/h1-17H.
What are the key properties of 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile?
4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile has a molecular weight of 425.33 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile is sourced from PubChem (CID 90130289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).