5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole

C55H33N7O — CID 154606133

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole (PubChem CID 154606133) has the molecular formula C55H33N7O and a molecular weight of 807.92 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole
• PubChem CID: 154606133
• Molecular Formula: C55H33N7O
• Molecular Weight: 807.92 g/mol
• Exact Mass: 807.27
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8cnccc8n9-c8ccccc8)cc7c56)cc4c4ncccc43)n2)cc1
• InChI: InChI=1S/C55H33N7O/c1-4-12-34(13-5-1)53-58-54(35-14-6-2-7-15-35)60-55(59-53)62-46-25-22-38(32-42(46)52-48(62)19-11-28-57-52)40-18-10-20-50-51(40)43-31-37(23-26-49(43)63-50)36-21-24-45-41(30-36)44-33-56-29-27-47(44)61(45)39-16-8-3-9-17-39/h1-33H
• InChIKey: RZASSQSRGAFEDR-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.92
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole (CID 154606133) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8cnccc8n9-c8ccccc8)cc7c56)cc4c4ncccc43)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole?

The InChIKey is RZASSQSRGAFEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N7O/c1-4-12-34(13-5-1)53-58-54(35-14-6-2-7-15-35)60-55(59-53)62-46-25-22-38(32-42(46)52-48(62)19-11-28-57-52)40-18-10-20-50-51(40)43-31-37(23-26-49(43)63-50)36-21-24-45-41(30-36)44-33-56-29-27-47(44)61(45)39-16-8-3-9-17-39/h1-33H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole has a molecular weight of 807.92 g/mol, XLogP of 13.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 154606133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).