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

C51H31N5O — CID 177267760

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267760) has the molecular formula C51H31N5O and a molecular weight of 745.94 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177267760
• Molecular Formula: C51H31N5O
• Molecular Weight: 745.94 g/mol
• Exact Mass: 745.35
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C51H31N5O/c1-6-19-43-37(12-1)38-13-2-7-20-44(38)55(43)50-52-49(53-51(54-50)56-45-21-8-3-14-39(45)40-15-4-9-22-46(40)56)35-30-26-33(27-31-35)32-24-28-34(29-25-32)36-17-11-18-42-41-16-5-10-23-47(41)57-48(36)42/h1-31H/i1D,2D,3D,4D,6D,7D,8D,9D,12D,13D,14D,15D,19D,20D,21D,22D
• InChIKey: SPDWEJLEJMVNAH-ZDTDBYJJSA-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	745.94
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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 177267760) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?

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

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 745.94 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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177267760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).