4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile

C26H15BrN2 — CID 90126936

IUPAC4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(Br)cc3)cc(-c3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C26H15BrN2/c27-26-11-9-22(10-12-26)25-14-23(20-5-1-18(16-28)2-6-20)13-24(15-25)21-7-3-19(17-29)4-8-21/h1-15H
InChIKeyIINZOQAMKSTCLM-UHFFFAOYSA-N
MW435.32 g/mol
LogP7.19
Rot. Bonds3

About 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile

4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile (PubChem CID 90126936) has the molecular formula C26H15BrN2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
PubChem CID90126936
Molecular FormulaC26H15BrN2
Molecular Weight435.32 g/mol
Exact Mass434.04
IUPAC Name4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(Br)cc3)cc(-c3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C26H15BrN2/c27-26-11-9-22(10-12-26)25-14-23(20-5-1-18(16-28)2-6-20)13-24(15-25)21-7-3-19(17-29)4-8-21/h1-15H
InChIKeyIINZOQAMKSTCLM-UHFFFAOYSA-N
XLogP7.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370
4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile
CID 90130289
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
4-[(E)-2-[3,5-bis[(E)-2-(4-bromophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 102018905
azulene-6-carbonitrile
CID 91533837
4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
CID 118632511
2-bromo-4-[3-(4-cyanophenyl)phenyl]benzonitrile
CID 142732591
4-[5-(4-bromophenyl)penta-1,4-diynyl]benzonitrile
CID 122449091
azane;benzene-1,4-dicarbonitrile
CID 174336566
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile (CID 90126936) is 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc(Br)cc3)cc(-c3ccc(C#N)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile?
The InChIKey is IINZOQAMKSTCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrN2/c27-26-11-9-22(10-12-26)25-14-23(20-5-1-18(16-28)2-6-20)13-24(15-25)21-7-3-19(17-29)4-8-21/h1-15H.
What are the key properties of 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile?
4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile has a molecular weight of 435.32 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 90126936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).