2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile

C54H28N6 — CID 100933714

IUPAC2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
SMILESN#Cc1ccc(-c2ccccc2)cc1-c1ccc(C#N)c(-c2ccc(C#N)c(-c3ccc(C#N)c(-c4ccc(C#N)c(-c5ccc(C#N)c(-c6ccccc6)c5)c4)c3)c2)c1
InChIInChI=1S/C54H28N6/c55-29-43-18-12-38(24-49(43)36-9-5-2-6-10-36)51-26-40(14-20-45(51)31-57)53-28-42(16-22-47(53)33-59)54-27-41(15-21-48(54)34-60)52-25-39(13-19-46(52)32-58)50-23-37(11-17-44(50)30-56)35-7-3-1-4-8-35/h1-28H
InChIKeyFXMGCIFTGHVHTC-UHFFFAOYSA-N
MW760.86 g/mol
LogP12.59
Rot. Bonds7

About 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile

2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile (PubChem CID 100933714) has the molecular formula C54H28N6 and a molecular weight of 760.86 g/mol. Its IUPAC name is 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile.

Molecular Properties

Compound Name2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
PubChem CID100933714
Molecular FormulaC54H28N6
Molecular Weight760.86 g/mol
Exact Mass760.24
IUPAC Name2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
SMILESN#Cc1ccc(-c2ccccc2)cc1-c1ccc(C#N)c(-c2ccc(C#N)c(-c3ccc(C#N)c(-c4ccc(C#N)c(-c5ccc(C#N)c(-c6ccccc6)c5)c4)c3)c2)c1
InChIInChI=1S/C54H28N6/c55-29-43-18-12-38(24-49(43)36-9-5-2-6-10-36)51-26-40(14-20-45(51)31-57)53-28-42(16-22-47(53)33-59)54-27-41(15-21-48(54)34-60)52-25-39(13-19-46(52)32-58)50-23-37(11-17-44(50)30-56)35-7-3-1-4-8-35/h1-28H
InChIKeyFXMGCIFTGHVHTC-UHFFFAOYSA-N
XLogP12.59
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.86
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-cyano-5-phenylphenyl)benzoate
CID 138707085
4-hydroxy-2-phenylbenzonitrile
CID 66882443
4-[2-[4-cyano-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170299696
CID 174159978
CID 174159978
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
CID 170284634
4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile
CID 118297472
2-[3-[4-[4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314829
2-methylsulfanyl-4-phenylbenzonitrile
CID 11528692
2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
CID 126496747
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzonitrile
CID 170027502
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile?
The IUPAC name of 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile (CID 100933714) is 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile.
What is the SMILES notation for 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile?
The canonical SMILES for 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile is N#Cc1ccc(-c2ccccc2)cc1-c1ccc(C#N)c(-c2ccc(C#N)c(-c3ccc(C#N)c(-c4ccc(C#N)c(-c5ccc(C#N)c(-c6ccccc6)c5)c4)c3)c2)c1.
What is the InChIKey of 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile?
The InChIKey is FXMGCIFTGHVHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28N6/c55-29-43-18-12-38(24-49(43)36-9-5-2-6-10-36)51-26-40(14-20-45(51)31-57)53-28-42(16-22-47(53)33-59)54-27-41(15-21-48(54)34-60)52-25-39(13-19-46(52)32-58)50-23-37(11-17-44(50)30-56)35-7-3-1-4-8-35/h1-28H.
What are the key properties of 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile?
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile has a molecular weight of 760.86 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile is sourced from PubChem (CID 100933714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).