9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole

C63H41N5 — CID 174272291

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2ccc3c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc(-c5ccccc5)cc4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C63H41N5/c1-6-21-42(22-7-1)46-37-38-51-57(40-46)68(55-35-19-17-32-52(55)63-65-61(44-25-10-3-11-26-44)64-62(66-63)45-27-12-4-13-28-45)58-41-47(43-23-8-2-9-24-43)39-53(60(51)58)49-33-20-36-56-59(49)50-31-16-18-34-54(50)67(56)48-29-14-5-15-30-48/h1-41H
InChIKeyKROQTKBTYMEICI-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174272291) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174272291
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2ccc3c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc(-c5ccccc5)cc4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C63H41N5/c1-6-21-42(22-7-1)46-37-38-51-57(40-46)68(55-35-19-17-32-52(55)63-65-61(44-25-10-3-11-26-44)64-62(66-63)45-27-12-4-13-28-45)58-41-47(43-23-8-2-9-24-43)39-53(60(51)58)49-33-20-36-56-59(49)50-31-16-18-34-54(50)67(56)48-29-14-5-15-30-48/h1-41H
InChIKeyKROQTKBTYMEICI-UHFFFAOYSA-N
XLogP16.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole 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

4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174271990
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174273466
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174275118
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378
2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 171438033
9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174274717
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
2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 174273630

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole (CID 174272291) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2ccc3c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc(-c5ccccc5)cc4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is KROQTKBTYMEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-6-21-42(22-7-1)46-37-38-51-57(40-46)68(55-35-19-17-32-52(55)63-65-61(44-25-10-3-11-26-44)64-62(66-63)45-27-12-4-13-28-45)58-41-47(43-23-8-2-9-24-43)39-53(60(51)58)49-33-20-36-56-59(49)50-31-16-18-34-54(50)67(56)48-29-14-5-15-30-48/h1-41H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174272291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).