5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole

C57H35N5 — CID 170675969

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole (PubChem CID 170675969) 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-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole
• PubChem CID: 170675969
• 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-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)cc4c4ccccc4c3c2)cc1
• InChI: InChI=1S/C57H35N5/c1-4-16-36(17-5-1)39-28-30-43-44-31-29-40(35-49(44)42-23-11-10-22-41(42)48(43)34-39)61-50-26-14-12-24-45(50)46-32-33-52-53(54(46)61)47-25-13-15-27-51(47)62(52)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38/h1-35H
• InChIKey: IZGXAZFRKOTXSV-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-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole (CID 170675969) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole is c1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)cc4c4ccccc4c3c2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole?

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

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)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-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170675969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).