1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C39H24N4O — CID 177098178

About 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177098178) has the molecular formula C39H24N4O and a molecular weight of 570.68 g/mol. Its IUPAC name is 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177098178
• Molecular Formula: C39H24N4O
• Molecular Weight: 570.68 g/mol
• Exact Mass: 570.23
• IUPAC Name: 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
• InChI: InChI=1S/C39H24N4O/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-40-38(28-21-22-32-31-17-6-9-20-35(31)44-36(32)24-28)42-39(41-37)43-33-18-7-4-15-29(33)30-16-5-8-19-34(30)43/h1-24H/i4D,5D,15D,16D,18D,19D
• InChIKey: NSBBIRYGHGYDIG-HRUZOHGVSA-N
• XLogP: 9.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.68
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 177098178) is 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1.

What is the InChIKey of 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The InChIKey is NSBBIRYGHGYDIG-HRUZOHGVSA-N. The full InChI is InChI=1S/C39H24N4O/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-40-38(28-21-22-32-31-17-6-9-20-35(31)44-36(32)24-28)42-39(41-37)43-33-18-7-4-15-29(33)30-16-5-8-19-34(30)43/h1-24H/i4D,5D,15D,16D,18D,19D.

What are the key properties of 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 570.68 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177098178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).