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

C51H31N5O — CID 169046322

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

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 169046322) has the molecular formula C51H31N5O and a molecular weight of 757.01 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 169046322
• Molecular Formula: C51H31N5O
• Molecular Weight: 757.01 g/mol
• Exact Mass: 756.42
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3nc(-c4ccccc4-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)n3)c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H]
• InChI: InChI=1S/C51H31N5O/c1-2-16-32(17-3-1)40-30-33(31-47-48(40)39-23-9-15-29-46(39)57-47)49-52-50(54-51(53-49)56-43-26-12-6-20-36(43)37-21-7-13-27-44(37)56)38-22-8-14-28-45(38)55-41-24-10-4-18-34(41)35-19-5-11-25-42(35)55/h1-31H/i1D,2D,3D,4D,5D,6D,7D,9D,10D,11D,12D,13D,15D,16D,17D,18D,19D,20D,21D,23D,24D,25D,26D,27D,29D,30D,31D
• InChIKey: YAPWTMVHBWOJSD-PUGADBCOSA-N
• XLogP: 12.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.01
LogP ≤ 5	12.97
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-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 169046322) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3nc(-c4ccccc4-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)n3)c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H].

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

The InChIKey is YAPWTMVHBWOJSD-PUGADBCOSA-N. The full InChI is InChI=1S/C51H31N5O/c1-2-16-32(17-3-1)40-30-33(31-47-48(40)39-23-9-15-29-46(39)57-47)49-52-50(54-51(53-49)56-43-26-12-6-20-36(43)37-21-7-13-27-44(37)56)38-22-8-14-28-45(38)55-41-24-10-4-18-34(41)35-19-5-11-25-42(35)55/h1-31H/i1D,2D,3D,4D,5D,6D,7D,9D,10D,11D,12D,13D,15D,16D,17D,18D,19D,20D,21D,23D,24D,25D,26D,27D,29D,30D,31D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 757.01 g/mol, XLogP of 12.97, 5 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-[2,4,6,7,8,9-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 169046322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).