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

C57H35N5 — CID 170289089

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 170289089) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• PubChem CID: 170289089
• Molecular Formula: C57H35N5
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.29
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c34)n2)cc1
• InChI: InChI=1S/C57H35N5/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-51-29-14-12-27-48(51)53-52(62)33-32-47-46-26-11-13-28-50(46)61(54(47)53)40-21-15-20-38(34-40)39-30-31-45-43-24-8-7-22-41(43)42-23-9-10-25-44(42)49(45)35-39/h1-35H
• InChIKey: XCGVDBRZSKULQA-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (CID 170289089) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

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

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c34)n2)cc1.

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

The InChIKey is XCGVDBRZSKULQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-51-29-14-12-27-48(51)53-52(62)33-32-47-46-26-11-13-28-50(46)61(54(47)53)40-21-15-20-38(34-40)39-30-31-45-43-24-8-7-22-41(43)42-23-9-10-25-44(42)49(45)35-39/h1-35H.

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 789.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170289089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).