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

C51H30N4O2 — CID 169011348

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole (PubChem CID 169011348) has the molecular formula C51H30N4O2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole
• PubChem CID: 169011348
• Molecular Formula: C51H30N4O2
• Molecular Weight: 750.95 g/mol
• Exact Mass: 750.36
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole
• SMILES: [2H]c1c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c2c(oc3c([2H])c(-c4c([2H])c([2H])c5c(oc6c([2H])c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c([2H])c([2H])c65)c4[2H])c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C51H30N4O2/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-21-25-40-39-23-19-33(27-46(39)57-48(40)29-35)34-20-24-41-42-30-36(22-26-45(42)56-47(41)28-34)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30H/i7D,8D,9D,10D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
• InChIKey: BZULPZGYIFNJIF-NQVULQMMSA-N
• XLogP: 13.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.95
LogP ≤ 5	13.44
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-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole (CID 169011348) is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole is [2H]c1c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c2c(oc3c([2H])c(-c4c([2H])c([2H])c5c(oc6c([2H])c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c([2H])c([2H])c65)c4[2H])c([2H])c([2H])c32)c1[2H].

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

The InChIKey is BZULPZGYIFNJIF-NQVULQMMSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-21-25-40-39-23-19-33(27-46(39)57-48(40)29-35)34-20-24-41-42-30-36(22-26-45(42)56-47(41)28-34)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30H/i7D,8D,9D,10D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 750.95 g/mol, XLogP of 13.44, 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-[1,3,4,6,8,9-hexadeuterio-7-[1,2,4,6,8,9-hexadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 169011348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).