3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole

C69H42N6 — CID 168729461

About 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole

3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole (PubChem CID 168729461) has the molecular formula C69H42N6 and a molecular weight of 955.14 g/mol. Its IUPAC name is 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 168729461
• Molecular Formula: C69H42N6
• Molecular Weight: 955.14 g/mol
• Exact Mass: 954.35
• IUPAC Name: 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5c43)n2)cc1
• InChI: InChI=1S/C69H42N6/c1-3-18-43(19-4-1)67-70-68(44-20-5-2-6-21-44)72-69(71-67)75-64-39-35-48(73-61-31-14-11-28-54(61)55-29-12-15-32-62(55)73)42-60(64)58-38-37-57-56-30-13-16-33-63(56)74(65(57)66(58)75)47-23-17-22-45(40-47)46-34-36-53-51-26-8-7-24-49(51)50-25-9-10-27-52(50)59(53)41-46/h1-42H
• InChIKey: LIEIEXPWRNKPDE-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.14
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole?

The IUPAC name of 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole (CID 168729461) is 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole?

The canonical SMILES for 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5c43)n2)cc1.

What is the InChIKey of 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole?

The InChIKey is LIEIEXPWRNKPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6/c1-3-18-43(19-4-1)67-70-68(44-20-5-2-6-21-44)72-69(71-67)75-64-39-35-48(73-61-31-14-11-28-54(61)55-29-12-15-32-62(55)73)42-60(64)58-38-37-57-56-30-13-16-33-63(56)74(65(57)66(58)75)47-23-17-22-45(40-47)46-34-36-53-51-26-8-7-24-49(51)50-25-9-10-27-52(50)59(53)41-46/h1-42H.

What are the key properties of 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole?

3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole has a molecular weight of 955.14 g/mol, XLogP of 17.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 168729461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).