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

C39H26N4 — CID 171438049

IUPAC9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1[2H]
InChIInChI=1S/C39H26N4/c1-4-15-27(16-5-1)37-40-38(28-17-6-2-7-18-28)42-39(41-37)34-23-11-10-21-30(34)32-24-14-25-33-31-22-12-13-26-35(31)43(36(32)33)29-19-8-3-9-20-29/h1-26H/i10D,11D,21D,23D
InChIKeyHZMNILJIBFPBTK-DUGSLSMGSA-N
MW554.69 g/mol
LogP9.64
Rot. Bonds5

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

9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 171438049) has the molecular formula C39H26N4 and a molecular weight of 554.69 g/mol. Its IUPAC name is 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID171438049
Molecular FormulaC39H26N4
Molecular Weight554.69 g/mol
Exact Mass554.24
IUPAC Name9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1[2H]
InChIInChI=1S/C39H26N4/c1-4-15-27(16-5-1)37-40-38(28-17-6-2-7-18-28)42-39(41-37)34-23-11-10-21-30(34)32-24-14-25-33-31-22-12-13-26-35(31)43(36(32)33)29-19-8-3-9-20-29/h1-26H/i10D,11D,21D,23D
InChIKeyHZMNILJIBFPBTK-DUGSLSMGSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 139342063
1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275219
1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 130438691
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 164847563
12-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 162780300
1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275570
11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 162425024
3,8-dideuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 140825312
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylcarbazole
CID 162710811

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 171438049) is 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1[2H].
What is the InChIKey of 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is HZMNILJIBFPBTK-DUGSLSMGSA-N. The full InChI is InChI=1S/C39H26N4/c1-4-15-27(16-5-1)37-40-38(28-17-6-2-7-18-28)42-39(41-37)34-23-11-10-21-30(34)32-24-14-25-33-31-22-12-13-26-35(31)43(36(32)33)29-19-8-3-9-20-29/h1-26H/i10D,11D,21D,23D.
What are the key properties of 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 554.69 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 171438049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).