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

C63H39N5 — CID 170289156

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 170289156) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• PubChem CID: 170289156
• Molecular Formula: C63H39N5
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.32
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
• InChI: InChI=1S/C63H39N5/c1-4-18-40(19-5-1)43-33-36-57(53(38-43)44-32-34-49-47-26-11-10-24-45(47)46-25-12-13-27-48(46)54(49)39-44)67-55-30-16-14-28-50(55)51-35-37-58-59(60(51)67)52-29-15-17-31-56(52)68(58)63-65-61(41-20-6-2-7-21-41)64-62(66-63)42-22-8-3-9-23-42/h1-39H
• InChIKey: COGYGANEGHKFMU-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.04
LogP ≤ 5	16.19
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-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (CID 170289156) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-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-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.

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

The InChIKey is COGYGANEGHKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5/c1-4-18-40(19-5-1)43-33-36-57(53(38-43)44-32-34-49-47-26-11-10-24-45(47)46-25-12-13-27-48(46)54(49)39-44)67-55-30-16-14-28-50(55)51-35-37-58-59(60(51)67)52-29-15-17-31-56(52)68(58)63-65-61(41-20-6-2-7-21-41)64-62(66-63)42-22-8-3-9-23-42/h1-39H.

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 866.04 g/mol, XLogP of 16.19, 6 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-(4-phenyl-2-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170289156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).