3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole

C52H33N7 — CID 118487797

About 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118487797) has the molecular formula C52H33N7 and a molecular weight of 755.89 g/mol. Its IUPAC name is 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 118487797
• Molecular Formula: C52H33N7
• Molecular Weight: 755.89 g/mol
• Exact Mass: 755.28
• IUPAC Name: 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3cnc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc43)n2)cc1
• InChI: InChI=1S/C52H33N7/c1-4-14-34(15-5-1)50-54-51(35-16-6-2-7-17-35)56-52(55-50)57-33-53-44-32-39(26-29-49(44)57)59-46-23-13-11-21-41(46)43-31-37(25-28-48(43)59)36-24-27-47-42(30-36)40-20-10-12-22-45(40)58(47)38-18-8-3-9-19-38/h1-33H
• InChIKey: MMQVDOWYJLOBEE-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.89
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole (CID 118487797) is 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3cnc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc43)n2)cc1.

What is the InChIKey of 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is MMQVDOWYJLOBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7/c1-4-14-34(15-5-1)50-54-51(35-16-6-2-7-17-35)56-52(55-50)57-33-53-44-32-39(26-29-49(44)57)59-46-23-13-11-21-41(46)43-31-37(25-28-48(43)59)36-24-27-47-42(30-36)40-20-10-12-22-45(40)58(47)38-18-8-3-9-19-38/h1-33H.

What are the key properties of 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole?

3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 755.89 g/mol, XLogP of 12.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118487797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).