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

C63H37N5O — CID 170542552

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

5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (PubChem CID 170542552) 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-(2-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-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• PubChem CID: 170542552
• 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-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6ccc7c8ccccc8c8ccccc8c7c6)c5cc43)n2)cc1
• InChI: InChI=1S/C63H37N5O/c1-2-16-38(17-3-1)61-64-62(40-31-33-60-53(35-40)49-25-11-15-29-59(49)69-60)66-63(65-61)68-56-28-14-10-24-48(56)52-36-51-47-23-9-13-27-55(47)67(57(51)37-58(52)68)54-26-12-8-18-41(54)39-30-32-46-44-21-5-4-19-42(44)43-20-6-7-22-45(43)50(46)34-39/h1-37H
• InChIKey: BPFYHFYFSJDHDE-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-(2-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-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (CID 170542552) is 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-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-(2-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-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6ccc7c8ccccc8c8ccccc8c7c6)c5cc43)n2)cc1.

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

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

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

5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-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-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 170542552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).