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

C57H35N5O — CID 177267835

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

1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 177267835) has the molecular formula C57H35N5O and a molecular weight of 830.09 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 177267835
• Molecular Formula: C57H35N5O
• Molecular Weight: 830.09 g/mol
• Exact Mass: 829.43
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c65)n4)c3c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C57H35N5O/c1-3-15-36(16-4-1)38-29-31-45-43-21-7-10-26-49(43)61(51(45)34-38)56-58-55(41-20-13-19-40(33-41)42-24-14-25-48-47-23-9-12-28-53(47)63-54(42)48)59-57(60-56)62-50-27-11-8-22-44(50)46-32-30-39(35-52(46)62)37-17-5-2-6-18-37/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,10D,11D,15D,16D,17D,18D,21D,22D,26D,27D,29D,30D,31D,32D,34D,35D
• InChIKey: HSKJCOCGWGTKMB-DKVYPZRBSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.09
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 177267835) is 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c65)n4)c3c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is HSKJCOCGWGTKMB-DKVYPZRBSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-15-36(16-4-1)38-29-31-45-43-21-7-10-26-49(43)61(51(45)34-38)56-58-55(41-20-13-19-40(33-41)42-24-14-25-48-47-23-9-12-28-53(47)63-54(42)48)59-57(60-56)62-50-27-11-8-22-44(50)46-32-30-39(35-52(46)62)37-17-5-2-6-18-37/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,10D,11D,15D,16D,17D,18D,21D,22D,26D,27D,29D,30D,31D,32D,34D,35D.

What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 830.09 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8-heptadeuterio-9-[4-(3-dibenzofuran-4-ylphenyl)-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 177267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).