5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

C58H35N9 — CID 146626433

About 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 146626433) has the molecular formula C58H35N9 and a molecular weight of 857.98 g/mol. Its IUPAC name is 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 146626433
• Molecular Formula: C58H35N9
• Molecular Weight: 857.98 g/mol
• Exact Mass: 857.30
• IUPAC Name: 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7ccccc7nc56)ccc43)n2)c1
• InChI: InChI=1S/C58H35N9/c1-8-24-45-37(17-1)38-18-2-9-25-46(38)64(45)50-29-13-6-22-42(50)55-60-56(65-47-26-10-3-19-39(47)40-20-4-11-27-48(40)65)62-57(61-55)66-49-28-12-5-21-41(49)43-35-36(33-34-51(43)66)63-53-31-15-16-32-54(53)67-52-30-14-7-23-44(52)59-58(63)67/h1-35H
• InChIKey: WEBMPRJTCUPBLW-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 75.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.98
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (CID 146626433) is 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7ccccc7nc56)ccc43)n2)c1.

What is the InChIKey of 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

The InChIKey is WEBMPRJTCUPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N9/c1-8-24-45-37(17-1)38-18-2-9-25-46(38)64(45)50-29-13-6-22-42(50)55-60-56(65-47-26-10-3-19-39(47)40-20-4-11-27-48(40)65)62-57(61-55)66-49-28-12-5-21-41(49)43-35-36(33-34-51(43)66)63-53-31-15-16-32-54(53)67-52-30-14-7-23-44(52)59-58(63)67/h1-35H.

What are the key properties of 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 857.98 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146626433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).