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

C45H28N4O — CID 172519768

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

1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 172519768) has the molecular formula C45H28N4O and a molecular weight of 668.92 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 172519768
• Molecular Formula: C45H28N4O
• Molecular Weight: 668.92 g/mol
• Exact Mass: 668.40
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c5c(oc6c([2H])c([2H])c([2H])c([2H])c65)c4[2H])nc(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c4[2H])n3)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C45H28N4O/c1-3-12-29(13-4-1)30-14-11-15-31(26-30)43-46-44(48-45(47-43)33-23-25-38-37-19-8-10-21-41(37)50-42(38)28-33)32-22-24-36-35-18-7-9-20-39(35)49(40(36)27-32)34-16-5-2-6-17-34/h1-28H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D
• InChIKey: CFNWOWILARCAHS-XLKZZZAPSA-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	668.92
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 172519768) is 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c5c(oc6c([2H])c([2H])c([2H])c([2H])c65)c4[2H])nc(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c4[2H])n3)c2[2H])c([2H])c1[2H].

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

The InChIKey is CFNWOWILARCAHS-XLKZZZAPSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-12-29(13-4-1)30-14-11-15-31(26-30)43-46-44(48-45(47-43)33-23-25-38-37-19-8-10-21-41(37)50-42(38)28-33)32-22-24-36-35-18-7-9-20-39(35)49(40(36)27-32)34-16-5-2-6-17-34/h1-28H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D.

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

1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 668.92 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 1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 172519768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).