1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole

C43H28N4 — CID 170658880

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2ccccc12
InChIInChI=1S/C43H28N4/c1-3-15-30(16-4-1)41-44-42(31-17-5-2-6-18-31)46-43(45-41)32-26-27-37(34-23-13-19-29-14-7-8-20-33(29)34)40(28-32)47-38-24-11-9-21-35(38)36-22-10-12-25-39(36)47/h1-28H/i9D,10D,11D,12D,21D,22D,24D,25D
InChIKeyMKJYCXFRGBAUKY-KQIATUETSA-N
MW608.77 g/mol
LogP10.79
Rot. Bonds5

About 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole (PubChem CID 170658880) has the molecular formula C43H28N4 and a molecular weight of 608.77 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole
PubChem CID170658880
Molecular FormulaC43H28N4
Molecular Weight608.77 g/mol
Exact Mass608.28
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2ccccc12
InChIInChI=1S/C43H28N4/c1-3-15-30(16-4-1)41-44-42(31-17-5-2-6-18-31)46-43(45-41)32-26-27-37(34-23-13-19-29-14-7-8-20-33(29)34)40(28-32)47-38-24-11-9-21-35(38)36-22-10-12-25-39(36)47/h1-28H/i9D,10D,11D,12D,21D,22D,24D,25D
InChIKeyMKJYCXFRGBAUKY-KQIATUETSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.77
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]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-naphthalen-1-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658673
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500053
1,2,3,4,5,6,7,8-octadeuterio-9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659024
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170658973
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170536831
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 176849721
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500274
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170536653
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]triphenylen-2-yl]carbazole
CID 162496980
9-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658651
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(8-phenyldibenzofuran-2-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177292415
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 171724617

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole (CID 170658880) is 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2ccccc12.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole?
The InChIKey is MKJYCXFRGBAUKY-KQIATUETSA-N. The full InChI is InChI=1S/C43H28N4/c1-3-15-30(16-4-1)41-44-42(31-17-5-2-6-18-31)46-43(45-41)32-26-27-37(34-23-13-19-29-14-7-8-20-33(29)34)40(28-32)47-38-24-11-9-21-35(38)36-22-10-12-25-39(36)47/h1-28H/i9D,10D,11D,12D,21D,22D,24D,25D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole has a molecular weight of 608.77 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole is sourced from PubChem (CID 170658880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).