2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile

C66H34N8 — CID 155377754

IUPAC2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1
InChIInChI=1S/C66H34N8/c67-35-41-4-12-46(13-5-41)50-20-25-61-56(31-50)57-32-51(47-14-6-42(36-68)7-15-47)21-26-62(57)73(61)65-29-24-55(54-3-1-2-45(30-54)39-71)66(60(65)40-72)74-63-27-22-52(48-16-8-43(37-69)9-17-48)33-58(63)59-34-53(23-28-64(59)74)49-18-10-44(38-70)11-19-49/h1-34H
InChIKeyGWYKQLHFYBZBEQ-UHFFFAOYSA-N
MW939.05 g/mol
LogP15.45
Rot. Bonds7

About 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile

2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile (PubChem CID 155377754) has the molecular formula C66H34N8 and a molecular weight of 939.05 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
PubChem CID155377754
Molecular FormulaC66H34N8
Molecular Weight939.05 g/mol
Exact Mass938.29
IUPAC Name2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1
InChIInChI=1S/C66H34N8/c67-35-41-4-12-46(13-5-41)50-20-25-61-56(31-50)57-32-51(47-14-6-42(36-68)7-15-47)21-26-62(57)73(61)65-29-24-55(54-3-1-2-45(30-54)39-71)66(60(65)40-72)74-63-27-22-52(48-16-8-43(37-69)9-17-48)33-58(63)59-34-53(23-28-64(59)74)49-18-10-44(38-70)11-19-49/h1-34H
InChIKeyGWYKQLHFYBZBEQ-UHFFFAOYSA-N
XLogP15.45
TPSA152.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.05
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile 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

2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
CID 155377775
3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715
3-[2-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134360
5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142465726
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155646809
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
3-[3-[4-[5-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[3-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170134707
2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427397

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile (CID 155377754) is 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1.
What is the InChIKey of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
The InChIKey is GWYKQLHFYBZBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34N8/c67-35-41-4-12-46(13-5-41)50-20-25-61-56(31-50)57-32-51(47-14-6-42(36-68)7-15-47)21-26-62(57)73(61)65-29-24-55(54-3-1-2-45(30-54)39-71)66(60(65)40-72)74-63-27-22-52(48-16-8-43(37-69)9-17-48)33-58(63)59-34-53(23-28-64(59)74)49-18-10-44(38-70)11-19-49/h1-34H.
What are the key properties of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile has a molecular weight of 939.05 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).