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

C45H27N5O — CID 177267771

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

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267771) has the molecular formula C45H27N5O and a molecular weight of 669.84 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177267771
• Molecular Formula: C45H27N5O
• Molecular Weight: 669.84 g/mol
• Exact Mass: 669.32
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2-c2cccc3c2oc2ccccc23)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C45H27N5O/c1-2-20-36(28(14-1)34-21-13-22-35-33-19-7-12-27-41(33)51-42(34)35)43-46-44(49-37-23-8-3-15-29(37)30-16-4-9-24-38(30)49)48-45(47-43)50-39-25-10-5-17-31(39)32-18-6-11-26-40(32)50/h1-27H/i3D,4D,5D,6D,8D,9D,10D,11D,15D,16D,17D,18D,23D,24D,25D,26D
• InChIKey: DAZIBBBTCZAQHJ-HTPGVHOHSA-N
• XLogP: 11.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.84
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 177267771) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2-c2cccc3c2oc2ccccc23)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

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

The InChIKey is DAZIBBBTCZAQHJ-HTPGVHOHSA-N. The full InChI is InChI=1S/C45H27N5O/c1-2-20-36(28(14-1)34-21-13-22-35-33-19-7-12-27-41(33)51-42(34)35)43-46-44(49-37-23-8-3-15-29(37)30-16-4-9-24-38(30)49)48-45(47-43)50-39-25-10-5-17-31(39)32-18-6-11-26-40(32)50/h1-27H/i3D,4D,5D,6D,8D,9D,10D,11D,15D,16D,17D,18D,23D,24D,25D,26D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 669.84 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2-dibenzofuran-4-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177267771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).