9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole

C39H24N4O — CID 168770056

IUPAC9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H]
InChIInChI=1S/C39H24N4O/c1-3-12-25(13-4-1)28-18-11-19-31-32-24-27(22-23-35(32)44-36(28)31)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43/h1-24H/i1D,2D,3D,4D,5D,6D,12D,13D,14D,15D
InChIKeyXQQZSCABGQZQHS-RXOJMXQBSA-N
MW574.71 g/mol
LogP9.87
Rot. Bonds4

About 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole

9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 168770056) has the molecular formula C39H24N4O and a molecular weight of 574.71 g/mol. Its IUPAC name is 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
PubChem CID168770056
Molecular FormulaC39H24N4O
Molecular Weight574.71 g/mol
Exact Mass574.26
IUPAC Name9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H]
InChIInChI=1S/C39H24N4O/c1-3-12-25(13-4-1)28-18-11-19-31-32-24-27(22-23-35(32)44-36(28)31)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43/h1-24H/i1D,2D,3D,4D,5D,6D,12D,13D,14D,15D
InChIKeyXQQZSCABGQZQHS-RXOJMXQBSA-N
XLogP9.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.71
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-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

2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 168769734
4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 168769715
2-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168769980
9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 160655229
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
2-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168770038
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(7-dibenzofuran-4-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770005
9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130463
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-(8-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 168770416
9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 168769877
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 164933012

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole (CID 168770056) is 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XQQZSCABGQZQHS-RXOJMXQBSA-N. The full InChI is InChI=1S/C39H24N4O/c1-3-12-25(13-4-1)28-18-11-19-31-32-24-27(22-23-35(32)44-36(28)31)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43/h1-24H/i1D,2D,3D,4D,5D,6D,12D,13D,14D,15D.
What are the key properties of 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?
9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 574.71 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168770056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).