1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C51H32N4O — CID 172520064

IUPAC1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C51H32N4O/c1-3-13-33(14-4-1)35-25-28-39(29-26-35)55-45-23-9-7-19-40(45)43-21-12-22-44(48(43)55)51-53-49(37-18-11-17-36(31-37)34-15-5-2-6-16-34)52-50(54-51)38-27-30-42-41-20-8-10-24-46(41)56-47(42)32-38/h1-32H/i1D,3D,4D,7D,9D,12D,13D,14D,19D,21D,22D,23D,25D,26D,28D,29D
InChIKeyMUQYUXNLMVSNEO-SZTIAUGYSA-N
MW732.94 g/mol
LogP13.20
Rot. Bonds6

About 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 172520064) has the molecular formula C51H32N4O and a molecular weight of 732.94 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
PubChem CID172520064
Molecular FormulaC51H32N4O
Molecular Weight732.94 g/mol
Exact Mass732.36
IUPAC Name1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C51H32N4O/c1-3-13-33(14-4-1)35-25-28-39(29-26-35)55-45-23-9-7-19-40(45)43-21-12-22-44(48(43)55)51-53-49(37-18-11-17-36(31-37)34-15-5-2-6-16-34)52-50(54-51)38-27-30-42-41-20-8-10-24-46(41)56-47(42)32-38/h1-32H/i1D,3D,4D,7D,9D,12D,13D,14D,19D,21D,22D,23D,25D,26D,28D,29D
InChIKeyMUQYUXNLMVSNEO-SZTIAUGYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.94
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,7-heptadeuterio-8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(3-phenylphenyl)carbazole
CID 172519962
1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519799
1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275252
1,2,3,4,5,6,7-heptadeuterio-8-[4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519929
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8-(3,5-diphenylphenyl)carbazole
CID 177275444
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113231
1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098178
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267896
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176849595
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541
1,2,3,4,5,6,7-heptadeuterio-8-[6-dibenzofuran-2-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176767078

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 172520064) is 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The InChIKey is MUQYUXNLMVSNEO-SZTIAUGYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-13-33(14-4-1)35-25-28-39(29-26-35)55-45-23-9-7-19-40(45)43-21-12-22-44(48(43)55)51-53-49(37-18-11-17-36(31-37)34-15-5-2-6-16-34)52-50(54-51)38-27-30-42-41-20-8-10-24-46(41)56-47(42)32-38/h1-32H/i1D,3D,4D,7D,9D,12D,13D,14D,19D,21D,22D,23D,25D,26D,28D,29D.
What are the key properties of 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 732.94 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 172520064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).