9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole

C57H38N4 — CID 174243956

IUPAC9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)n3)cc2)cc1
InChIInChI=1S/C57H38N4/c1-5-15-39(16-6-1)43-25-29-45(30-26-43)55-58-56(46-31-27-44(28-32-46)40-17-7-2-8-18-40)60-57(59-55)51-23-13-14-24-52(51)61-53-37-47(41-19-9-3-10-20-41)33-35-49(53)50-36-34-48(38-54(50)61)42-21-11-4-12-22-42/h1-38H
InChIKeyLICHMOQPCXAGQL-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.64
Rot. Bonds8

About 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole

9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole (PubChem CID 174243956) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
PubChem CID174243956
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)n3)cc2)cc1
InChIInChI=1S/C57H38N4/c1-5-15-39(16-6-1)43-25-29-45(30-26-43)55-58-56(46-31-27-44(28-32-46)40-17-7-2-8-18-40)60-57(59-55)51-23-13-14-24-52(51)61-53-37-47(41-19-9-3-10-20-41)33-35-49(53)50-36-34-48(38-54(50)61)42-21-11-4-12-22-42/h1-38H
InChIKeyLICHMOQPCXAGQL-UHFFFAOYSA-N
XLogP14.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole 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-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138713564
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165151386
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 176870647
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414830

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole (CID 174243956) is 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)n3)cc2)cc1.
What is the InChIKey of 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole?
The InChIKey is LICHMOQPCXAGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-5-15-39(16-6-1)43-25-29-45(30-26-43)55-58-56(46-31-27-44(28-32-46)40-17-7-2-8-18-40)60-57(59-55)51-23-13-14-24-52(51)61-53-37-47(41-19-9-3-10-20-41)33-35-49(53)50-36-34-48(38-54(50)61)42-21-11-4-12-22-42/h1-38H.
What are the key properties of 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole?
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole has a molecular weight of 778.96 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole is sourced from PubChem (CID 174243956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).