12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole

C51H31N5O — CID 169059257

About 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole

12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 169059257) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 169059257
• Molecular Formula: C51H31N5O
• Molecular Weight: 729.84 g/mol
• Exact Mass: 729.25
• IUPAC Name: 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)ccc34)n2)cc1
• InChI: InChI=1S/C51H31N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)42-24-14-23-41-38-28-27-35(31-45(38)57-48(41)42)56-44-26-13-11-22-37(44)40-30-29-39-36-21-10-12-25-43(36)55(46(39)47(40)56)34-19-8-3-9-20-34/h1-31H
• InChIKey: YSQPQBUFVMJFRQ-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.84
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole (CID 169059257) is 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)ccc34)n2)cc1.

What is the InChIKey of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole?

The InChIKey is YSQPQBUFVMJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)42-24-14-23-41-38-28-27-35(31-45(38)57-48(41)42)56-44-26-13-11-22-37(44)40-30-29-39-36-21-10-12-25-43(36)55(46(39)47(40)56)34-19-8-3-9-20-34/h1-31H.

What are the key properties of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole?

12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 169059257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).