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

C45H28N4O — CID 172519799

About 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

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 (PubChem CID 172519799) has the molecular formula C45H28N4O and a molecular weight of 652.82 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 172519799
• Molecular Formula: C45H28N4O
• Molecular Weight: 652.82 g/mol
• Exact Mass: 652.30
• IUPAC Name: 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
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7ccccc7c56)n4)c32)c([2H])c1[2H]
• InChI: InChI=1S/C45H28N4O/c1-3-13-29(14-4-1)30-25-27-31(28-26-30)43-46-44(36-20-12-24-40-41(36)35-18-8-10-23-39(35)50-40)48-45(47-43)37-21-11-19-34-33-17-7-9-22-38(33)49(42(34)37)32-15-5-2-6-16-32/h1-28H/i2D,5D,6D,7D,9D,11D,15D,16D,17D,19D,21D,22D
• InChIKey: HPLWPMAHIFSURG-LVZDFHNLSA-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	652.82
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7ccccc7c56)n4)c32)c([2H])c1[2H].

What is the InChIKey of 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?

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

What are the key properties of 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?

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 has a molecular weight of 652.82 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 1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 172519799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).