7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole

C58H36N6O — CID 166583419

About 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole

7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 166583419) has the molecular formula C58H36N6O and a molecular weight of 832.97 g/mol. Its IUPAC name is 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole
• PubChem CID: 166583419
• Molecular Formula: C58H36N6O
• Molecular Weight: 832.97 g/mol
• Exact Mass: 832.30
• IUPAC Name: 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole
• SMILES: c1ccc(-c2cc(-c3cccc4nc(-c5ccccc5)oc34)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)c2)cc1
• InChI: InChI=1S/C58H36N6O/c1-5-18-37(19-6-1)41-34-42(44-28-17-29-49-54(44)65-57(59-49)40-24-11-4-12-25-40)36-43(35-41)63-50-30-15-13-26-45(50)47-32-33-48-46-27-14-16-31-51(46)64(53(48)52(47)63)58-61-55(38-20-7-2-8-21-38)60-56(62-58)39-22-9-3-10-23-39/h1-36H
• InChIKey: HDPJQATYIGYCAC-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.97
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole?

The IUPAC name of 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole (CID 166583419) is 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole.

What is the SMILES notation for 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole?

The canonical SMILES for 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2cc(-c3cccc4nc(-c5ccccc5)oc34)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)c2)cc1.

What is the InChIKey of 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole?

The InChIKey is HDPJQATYIGYCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6O/c1-5-18-37(19-6-1)41-34-42(44-28-17-29-49-54(44)65-57(59-49)40-24-11-4-12-25-40)36-43(35-41)63-50-30-15-13-26-45(50)47-32-33-48-46-27-14-16-31-51(46)64(53(48)52(47)63)58-61-55(38-20-7-2-8-21-38)60-56(62-58)39-22-9-3-10-23-39/h1-36H.

What are the key properties of 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole?

7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 832.97 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 166583419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).