5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole

C55H35N7O — CID 137218574

About 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole

5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole (PubChem CID 137218574) has the molecular formula C55H35N7O and a molecular weight of 809.93 g/mol. Its IUPAC name is 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole
• PubChem CID: 137218574
• Molecular Formula: C55H35N7O
• Molecular Weight: 809.93 g/mol
• Exact Mass: 809.29
• IUPAC Name: 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole
• SMILES: c1ccc(C2=NC(n3c4ccncc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7c6c5)ccc43)=NC(c3ccccc3)N2)cc1
• InChI: InChI=1S/C55H35N7O/c1-4-12-34(13-5-1)53-58-54(35-14-6-2-7-15-35)60-55(59-53)62-45-24-21-36(30-41(45)44-33-56-29-27-47(44)62)37-23-26-49-43(31-37)51-40(18-10-20-50(51)63-49)38-22-25-46-42(32-38)52-48(19-11-28-57-52)61(46)39-16-8-3-9-17-39/h1-33,53H,(H,58,59,60)
• InChIKey: RCTIIWGQRGHXJL-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 85.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.93
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole?

The IUPAC name of 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole (CID 137218574) is 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole?

The canonical SMILES for 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole is c1ccc(C2=NC(n3c4ccncc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7c6c5)ccc43)=NC(c3ccccc3)N2)cc1.

What is the InChIKey of 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole?

The InChIKey is RCTIIWGQRGHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N7O/c1-4-12-34(13-5-1)53-58-54(35-14-6-2-7-15-35)60-55(59-53)62-45-24-21-36(30-41(45)44-33-56-29-27-47(44)62)37-23-26-49-43(31-37)51-40(18-10-20-50(51)63-49)38-22-25-46-42(32-38)52-48(19-11-28-57-52)61(46)39-16-8-3-9-17-39/h1-33,53H,(H,58,59,60).

What are the key properties of 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole?

5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole has a molecular weight of 809.93 g/mol, XLogP of 12.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 137218574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).