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

C66H40N8 — CID 169037513

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

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 169037513) has the molecular formula C66H40N8 and a molecular weight of 945.10 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• PubChem CID: 169037513
• Molecular Formula: C66H40N8
• Molecular Weight: 945.10 g/mol
• Exact Mass: 944.34
• IUPAC Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)n7)c6c54)c3)n2)cc1
• InChI: InChI=1S/C66H40N8/c1-4-19-41(20-5-1)61-67-62(42-21-6-2-7-22-42)69-64(68-61)44-25-18-26-46(39-44)73-57-33-16-14-31-52(57)54-37-38-55-53-32-15-17-34-58(53)74(60(55)59(54)73)66-71-63(43-23-8-3-9-24-43)70-65(72-66)45-35-36-51-49-29-11-10-27-47(49)48-28-12-13-30-50(48)56(51)40-45/h1-40H
• InChIKey: DIMPNURJABBWDH-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.10
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 169037513) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)n7)c6c54)c3)n2)cc1.

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

The InChIKey is DIMPNURJABBWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N8/c1-4-19-41(20-5-1)61-67-62(42-21-6-2-7-22-42)69-64(68-61)44-25-18-26-46(39-44)73-57-33-16-14-31-52(57)54-37-38-55-53-32-15-17-34-58(53)74(60(55)59(54)73)66-71-63(43-23-8-3-9-24-43)70-65(72-66)45-35-36-51-49-29-11-10-27-47(49)48-28-12-13-30-50(48)56(51)40-45/h1-40H.

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

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 945.10 g/mol, XLogP of 16.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 169037513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).