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

C51H33N5 — CID 121475607

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4)c3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-20-14-19-36(31-38)37-27-29-43-41-23-10-12-25-45(41)56(48(43)32-37)40-28-30-47-44(33-40)42-24-11-13-26-46(42)55(47)39-21-8-3-9-22-39/h1-33H
InChIKeyIOPUEWZPJFVTME-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

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

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 121475607) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID121475607
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4)c3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-20-14-19-36(31-38)37-27-29-43-41-23-10-12-25-45(41)56(48(43)32-37)40-28-30-47-44(33-40)42-24-11-13-26-46(42)55(47)39-21-8-3-9-22-39/h1-33H
InChIKeyIOPUEWZPJFVTME-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160597833
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole (CID 121475607) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is IOPUEWZPJFVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-20-14-19-36(31-38)37-27-29-43-41-23-10-12-25-45(41)56(48(43)32-37)40-28-30-47-44(33-40)42-24-11-13-26-46(42)55(47)39-21-8-3-9-22-39/h1-33H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 121475607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).