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

C62H40N6 — CID 156556543

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

12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 156556543) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 156556543
• Molecular Formula: C62H40N6
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.33
• IUPAC Name: 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c7)n6)c5c43)c2)cc1
• InChI: InChI=1S/C62H40N6/c1-5-19-41(20-6-1)45-27-18-30-49(38-45)67-56-33-15-13-31-50(56)52-35-36-53-51-32-14-16-34-57(51)68(59(53)58(52)67)62-65-60(44-25-11-4-12-26-44)64-61(66-62)47-29-17-28-46(37-47)55-40-48(42-21-7-2-8-22-42)39-54(63-55)43-23-9-3-10-24-43/h1-40H
• InChIKey: ZOIYOLAEZOKZSW-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole (CID 156556543) is 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c7)n6)c5c43)c2)cc1.

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

The InChIKey is ZOIYOLAEZOKZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-5-19-41(20-6-1)45-27-18-30-49(38-45)67-56-33-15-13-31-50(56)52-35-36-53-51-32-14-16-34-57(51)68(59(53)58(52)67)62-65-60(44-25-11-4-12-26-44)64-61(66-62)47-29-17-28-46(37-47)55-40-48(42-21-7-2-8-22-42)39-54(63-55)43-23-9-3-10-24-43/h1-40H.

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

12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 869.04 g/mol, XLogP of 15.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 156556543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).