4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile

C46H27N7 — CID 121241282

IUPAC4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)nnn2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C46H27N7/c47-28-30-16-20-32(21-17-30)46-45(49-50-53(46)34-23-18-31(29-48)19-24-34)33-22-25-40-39-12-3-6-15-43(39)52(44(40)26-33)36-9-7-8-35(27-36)51-41-13-4-1-10-37(41)38-11-2-5-14-42(38)51/h1-27H
InChIKeyNEYNYJYXOQVNEK-UHFFFAOYSA-N
MW677.77 g/mol
LogP10.54
Rot. Bonds5

About 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile

4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile (PubChem CID 121241282) has the molecular formula C46H27N7 and a molecular weight of 677.77 g/mol. Its IUPAC name is 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile
PubChem CID121241282
Molecular FormulaC46H27N7
Molecular Weight677.77 g/mol
Exact Mass677.23
IUPAC Name4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)nnn2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C46H27N7/c47-28-30-16-20-32(21-17-30)46-45(49-50-53(46)34-23-18-31(29-48)19-24-34)33-22-25-40-39-12-3-6-15-43(39)52(44(40)26-33)36-9-7-8-35(27-36)51-41-13-4-1-10-37(41)38-11-2-5-14-42(38)51/h1-27H
InChIKeyNEYNYJYXOQVNEK-UHFFFAOYSA-N
XLogP10.54
TPSA88.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.77
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]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

9-(3-carbazol-9-ylphenyl)-4-(1,5-diphenyltriazol-4-yl)carbazole
CID 121241303
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 150999428
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
CID 121241302
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
6-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369921
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane
CID 160844798

Frequently Asked Questions

What is the IUPAC name of 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile?
The IUPAC name of 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile (CID 121241282) is 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile?
The canonical SMILES for 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile is N#Cc1ccc(-c2c(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)nnn2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile?
The InChIKey is NEYNYJYXOQVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N7/c47-28-30-16-20-32(21-17-30)46-45(49-50-53(46)34-23-18-31(29-48)19-24-34)33-22-25-40-39-12-3-6-15-43(39)52(44(40)26-33)36-9-7-8-35(27-36)51-41-13-4-1-10-37(41)38-11-2-5-14-42(38)51/h1-27H.
What are the key properties of 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile?
4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile has a molecular weight of 677.77 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[9-(3-carbazol-9-ylphenyl)carbazol-2-yl]-3-(4-cyanophenyl)triazol-4-yl]benzonitrile is sourced from PubChem (CID 121241282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).