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

C45H28N4O — CID 170527123

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

1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 170527123) has the molecular formula C45H28N4O and a molecular weight of 656.84 g/mol. Its IUPAC name is 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 170527123
• Molecular Formula: C45H28N4O
• Molecular Weight: 656.84 g/mol
• Exact Mass: 656.33
• IUPAC Name: 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c(-c4c([2H])c([2H])c([2H])c(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4[2H])c([2H])c([2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(48-45(47-43)36-23-13-27-40-42(36)35-21-8-10-26-39(35)50-40)31-17-11-16-30(28-31)33-22-12-25-38-41(33)34-20-7-9-24-37(34)49(38)32-18-5-2-6-19-32/h1-28H/i2D,5D,6D,7D,9D,11D,12D,16D,17D,18D,19D,20D,22D,24D,25D,28D
• InChIKey: IVWQQUHCYJWMTQ-UYMFQCBTSA-N
• XLogP: 11.54
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.84
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 170527123) is 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c(-c4c([2H])c([2H])c([2H])c(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4[2H])c([2H])c([2H])c([2H])c32)c([2H])c1[2H].

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

The InChIKey is IVWQQUHCYJWMTQ-UYMFQCBTSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(48-45(47-43)36-23-13-27-40-42(36)35-21-8-10-26-39(35)50-40)31-17-11-16-30(28-31)33-22-12-25-38-41(33)34-20-7-9-24-37(34)49(38)32-18-5-2-6-19-32/h1-28H/i2D,5D,6D,7D,9D,11D,12D,16D,17D,18D,19D,20D,22D,24D,25D,28D.

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

1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 656.84 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 170527123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).