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

C63H39N5 — CID 170289111

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

5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 170289111) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• PubChem CID: 170289111
• Molecular Formula: C63H39N5
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.32
• IUPAC Name: 5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)c45)n3)c2)cc1
• InChI: InChI=1S/C63H39N5/c1-3-16-40(17-4-1)43-20-15-21-45(38-43)62-64-61(42-18-5-2-6-19-42)65-63(66-62)68-57-29-14-12-27-54(57)59-58(68)37-36-53-52-26-11-13-28-56(52)67(60(53)59)46-33-30-41(31-34-46)44-32-35-51-49-24-8-7-22-47(49)48-23-9-10-25-50(48)55(51)39-44/h1-39H
• InChIKey: UXQAFSZPOATOLT-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-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

The IUPAC name of 5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (CID 170289111) is 5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

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

The canonical SMILES for 5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)c45)n3)c2)cc1.

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

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

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

5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-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-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170289111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).