5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole

C63H37N5O — CID 170542537

About 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole

5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (PubChem CID 170542537) has the molecular formula C63H37N5O and a molecular weight of 880.02 g/mol. Its IUPAC name is 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• PubChem CID: 170542537
• Molecular Formula: C63H37N5O
• Molecular Weight: 880.02 g/mol
• Exact Mass: 879.30
• IUPAC Name: 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)c5cc43)n2)cc1
• InChI: InChI=1S/C63H37N5O/c1-2-14-39(15-3-1)61-64-62(41-29-33-60-54(35-41)50-22-10-13-25-59(50)69-60)66-63(65-61)68-56-24-12-9-21-49(56)53-36-52-48-20-8-11-23-55(48)67(57(52)37-58(53)68)42-30-26-38(27-31-42)40-28-32-47-45-18-5-4-16-43(45)44-17-6-7-19-46(44)51(47)34-40/h1-37H
• InChIKey: CWRLPRLWFWCDME-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.02
LogP ≤ 5	16.43
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 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The IUPAC name of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (CID 170542537) is 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole.

What is the SMILES notation for 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The canonical SMILES for 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)c5cc43)n2)cc1.

What is the InChIKey of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The InChIKey is CWRLPRLWFWCDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O/c1-2-14-39(15-3-1)61-64-62(41-29-33-60-54(35-41)50-22-10-13-25-59(50)69-60)66-63(65-61)68-56-24-12-9-21-49(56)53-36-52-48-20-8-11-23-55(48)67(57(52)37-58(53)68)42-30-26-38(27-31-42)40-28-32-47-45-18-5-4-16-43(45)44-17-6-7-19-46(44)51(47)34-40/h1-37H.

What are the key properties of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole has a molecular weight of 880.02 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 170542537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).