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

C45H28N6 — CID 164788719

IUPAC3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1nc(-c2ccccc2-n2c3ccc([2H])cc3c3cc([2H])ccc32)nc(-n2c3ccc([2H])cc3c3cc([2H])ccc32)n1
InChIInChI=1S/C45H28N6/c1-8-22-36-29(15-1)30-16-2-9-23-37(30)49(36)42-28-14-7-21-35(42)43-46-44(50-38-24-10-3-17-31(38)32-18-4-11-25-39(32)50)48-45(47-43)51-40-26-12-5-19-33(40)34-20-6-13-27-41(34)51/h1-28H/i1D,2D,3D,4D,5D,6D
InChIKeyLEULMVLGIZEGST-MZWXYZOWSA-N
MW658.80 g/mol
LogP10.83
Rot. Bonds4

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

3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 164788719) has the molecular formula C45H28N6 and a molecular weight of 658.80 g/mol. Its IUPAC name is 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID164788719
Molecular FormulaC45H28N6
Molecular Weight658.80 g/mol
Exact Mass658.28
IUPAC Name3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1nc(-c2ccccc2-n2c3ccc([2H])cc3c3cc([2H])ccc32)nc(-n2c3ccc([2H])cc3c3cc([2H])ccc32)n1
InChIInChI=1S/C45H28N6/c1-8-22-36-29(15-1)30-16-2-9-23-37(30)49(36)42-28-14-7-21-35(42)43-46-44(50-38-24-10-3-17-31(38)32-18-4-11-25-39(32)50)48-45(47-43)51-40-26-12-5-19-33(40)34-20-6-13-27-41(34)51/h1-28H/i1D,2D,3D,4D,5D,6D
InChIKeyLEULMVLGIZEGST-MZWXYZOWSA-N
XLogP10.83
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

9-[2-[4-carbazol-9-yl-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578328
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578357
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578517
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164788520
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708
9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170940965
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578367
3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 170659119
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578315

Frequently Asked Questions

What is the IUPAC name of 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 164788719) is 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1nc(-c2ccccc2-n2c3ccc([2H])cc3c3cc([2H])ccc32)nc(-n2c3ccc([2H])cc3c3cc([2H])ccc32)n1.
What is the InChIKey of 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is LEULMVLGIZEGST-MZWXYZOWSA-N. The full InChI is InChI=1S/C45H28N6/c1-8-22-36-29(15-1)30-16-2-9-23-37(30)49(36)42-28-14-7-21-35(42)43-46-44(50-38-24-10-3-17-31(38)32-18-4-11-25-39(32)50)48-45(47-43)51-40-26-12-5-19-33(40)34-20-6-13-27-41(34)51/h1-28H/i1D,2D,3D,4D,5D,6D.
What are the key properties of 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 658.80 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 164788719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).