5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole

C60H40N4O2 — CID 156574729

About 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole

5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 156574729) has the molecular formula C60H40N4O2 and a molecular weight of 849.01 g/mol. Its IUPAC name is 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
• PubChem CID: 156574729
• Molecular Formula: C60H40N4O2
• Molecular Weight: 849.01 g/mol
• Exact Mass: 848.32
• IUPAC Name: 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc2c1oc1c(-c3cccc4oc5ccccc5c34)c(C3=NC(c4ccccc4)NC(c4ccccc4)=N3)ccc12
• InChI: InChI=1S/C60H40N4O2/c1-60(2)45-26-12-9-21-37(45)38-33-34-47-53(54(38)60)41-22-10-13-27-46(41)64(47)48-28-15-24-39-40-31-32-44(59-62-57(35-17-5-3-6-18-35)61-58(63-59)36-19-7-4-8-20-36)52(56(40)66-55(39)48)43-25-16-30-50-51(43)42-23-11-14-29-49(42)65-50/h3-34,57H,1-2H3,(H,61,62,63)
• InChIKey: XXJVPPUATKMAOA-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 67.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.01
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole?

The IUPAC name of 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole (CID 156574729) is 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole.

What is the SMILES notation for 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole?

The canonical SMILES for 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc2c1oc1c(-c3cccc4oc5ccccc5c34)c(C3=NC(c4ccccc4)NC(c4ccccc4)=N3)ccc12.

What is the InChIKey of 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole?

The InChIKey is XXJVPPUATKMAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4O2/c1-60(2)45-26-12-9-21-37(45)38-33-34-47-53(54(38)60)41-22-10-13-27-46(41)64(47)48-28-15-24-39-40-31-32-44(59-62-57(35-17-5-3-6-18-35)61-58(63-59)36-19-7-4-8-20-36)52(56(40)66-55(39)48)43-25-16-30-50-51(43)42-23-11-14-29-49(42)65-50/h3-34,57H,1-2H3,(H,61,62,63).

What are the key properties of 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole?

5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 849.01 g/mol, XLogP of 15.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 156574729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).