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

C51H31N5O — CID 177267896

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267896) 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-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177267896
• 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-[3-(3-dibenzofuran-3-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(-c2cccc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c2)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C51H31N5O/c1-6-22-43-37(17-1)38-18-2-7-23-44(38)55(43)50-52-49(53-51(54-50)56-45-24-8-3-19-39(45)40-20-4-9-25-46(40)56)36-16-12-15-34(30-36)32-13-11-14-33(29-32)35-27-28-42-41-21-5-10-26-47(41)57-48(42)31-35/h1-31H/i1D,2D,3D,4D,6D,7D,8D,9D,17D,18D,19D,20D,22D,23D,24D,25D
• InChIKey: PZIPNKUEGBFMCC-UBCILKKISA-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-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 177267896) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-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(-c2cccc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c2)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-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?

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

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-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-[3-(3-dibenzofuran-3-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 177267896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).