4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile

C38H24N2 — CID 176994414

IUPAC4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(C#N)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C38H24N2/c39-25-27-11-13-28(14-12-27)29-15-17-30(18-16-29)31-19-21-32(22-20-31)35-23-36(33-7-3-1-4-8-33)38(26-40)37(24-35)34-9-5-2-6-10-34/h1-24H
InChIKeyZKCIRUTXQHYAJH-UHFFFAOYSA-N
MW508.62 g/mol
LogP9.76
Rot. Bonds5

About 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile

4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile (PubChem CID 176994414) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile.

Molecular Properties

Compound Name4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
PubChem CID176994414
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(C#N)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C38H24N2/c39-25-27-11-13-28(14-12-27)29-15-17-30(18-16-29)31-19-21-32(22-20-31)35-23-36(33-7-3-1-4-8-33)38(26-40)37(24-35)34-9-5-2-6-10-34/h1-24H
InChIKeyZKCIRUTXQHYAJH-UHFFFAOYSA-N
XLogP9.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[1,3-bis(4-phenylphenyl)phenanthren-9-yl]benzonitrile
CID 148995684
4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
CID 139035866
4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
CID 176994433
4-(4-cyanophenyl)-2,6-di(dibenzothiophen-3-yl)benzonitrile
CID 146354659
azulene-6-carbonitrile
CID 91533837
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[6-[4-(2,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297433
4-[2-(4-cyanophenyl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 170032601
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile?
The IUPAC name of 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile (CID 176994414) is 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile.
What is the SMILES notation for 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile?
The canonical SMILES for 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(C#N)c(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile?
The InChIKey is ZKCIRUTXQHYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2/c39-25-27-11-13-28(14-12-27)29-15-17-30(18-16-29)31-19-21-32(22-20-31)35-23-36(33-7-3-1-4-8-33)38(26-40)37(24-35)34-9-5-2-6-10-34/h1-24H.
What are the key properties of 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile?
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile has a molecular weight of 508.62 g/mol, XLogP of 9.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile is sourced from PubChem (CID 176994414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).