2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile

C58H36N6 — CID 155232661

IUPAC2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C58H36N6/c59-37-42-21-10-11-24-44(42)40-31-33-52-48(35-40)46-25-12-14-28-50(46)64(52)53-34-32-41(45-27-16-30-54-55(45)47-26-13-15-29-51(47)63(54)43-22-8-3-9-23-43)36-49(53)58-61-56(38-17-4-1-5-18-38)60-57(62-58)39-19-6-2-7-20-39/h1-36H
InChIKeyYEBWNHDGAKDWTD-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.27
Rot. Bonds7

About 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile

2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile (PubChem CID 155232661) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
PubChem CID155232661
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C58H36N6/c59-37-42-21-10-11-24-44(42)40-31-33-52-48(35-40)46-25-12-14-28-50(46)64(52)53-34-32-41(45-27-16-30-54-55(45)47-26-13-15-29-51(47)63(54)43-22-8-3-9-23-43)36-49(53)58-61-56(38-17-4-1-5-18-38)60-57(62-58)39-19-6-2-7-20-39/h1-36H
InChIKeyYEBWNHDGAKDWTD-UHFFFAOYSA-N
XLogP14.27
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-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

2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628167
2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232570
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 155232653
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155232577
4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155232983
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155628253
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 155233083
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile (CID 155232661) is 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile?
The InChIKey is YEBWNHDGAKDWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c59-37-42-21-10-11-24-44(42)40-31-33-52-48(35-40)46-25-12-14-28-50(46)64(52)53-34-32-41(45-27-16-30-54-55(45)47-26-13-15-29-51(47)63(54)43-22-8-3-9-23-43)36-49(53)58-61-56(38-17-4-1-5-18-38)60-57(62-58)39-19-6-2-7-20-39/h1-36H.
What are the key properties of 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile?
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile has a molecular weight of 816.97 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 155232661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).