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

C45H30N4 — CID 177275579

IUPAC1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(-c3ccccc3-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N4/c1-4-14-31(15-5-1)37-20-10-11-21-38(37)35-26-29-40-39-22-12-13-23-41(39)49(42(40)30-35)36-27-24-34(25-28-36)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h1-30H/i12D,13D,22D,23D
InChIKeyTYHHWGXUGADKRI-LZHRJFJNSA-N
MW630.79 g/mol
LogP11.30
Rot. Bonds6

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

1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole (PubChem CID 177275579) has the molecular formula C45H30N4 and a molecular weight of 630.79 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole
PubChem CID177275579
Molecular FormulaC45H30N4
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(-c3ccccc3-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N4/c1-4-14-31(15-5-1)37-20-10-11-21-38(37)35-26-29-40-39-22-12-13-23-41(39)49(42(40)30-35)36-27-24-34(25-28-36)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h1-30H/i12D,13D,22D,23D
InChIKeyTYHHWGXUGADKRI-LZHRJFJNSA-N
XLogP11.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 176640480
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113463
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
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176640465
1,2,3,4-tetradeuterio-8-(4-phenylphenyl)-9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275493
1,2,3,4-tetradeuterio-7-(4-phenylphenyl)-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275449
1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 177275500
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-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170536831
1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113467
2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087454
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 166047028

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole (CID 177275579) is 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(-c3ccccc3-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole?
The InChIKey is TYHHWGXUGADKRI-LZHRJFJNSA-N. The full InChI is InChI=1S/C45H30N4/c1-4-14-31(15-5-1)37-20-10-11-21-38(37)35-26-29-40-39-22-12-13-23-41(39)49(42(40)30-35)36-27-24-34(25-28-36)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h1-30H/i12D,13D,22D,23D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole?
1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole has a molecular weight of 630.79 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole is sourced from PubChem (CID 177275579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).