9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole

C46H27N5O — CID 169276047

About 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole

9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (PubChem CID 169276047) has the molecular formula C46H27N5O and a molecular weight of 665.76 g/mol. Its IUPAC name is 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
• PubChem CID: 169276047
• Molecular Formula: C46H27N5O
• Molecular Weight: 665.76 g/mol
• Exact Mass: 665.22
• IUPAC Name: 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
• SMILES: c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)nc(-c4cccc5ccccc45)n3)ccc2c1
• InChI: InChI=1S/C46H27N5O/c1-2-11-30-25-31(19-18-28(30)9-1)43-48-44(50-45(49-43)38-15-7-12-29-10-3-4-13-34(29)38)32-20-22-36-37-23-21-33(27-42(37)52-41(36)26-32)51-40-17-6-5-14-35(40)39-16-8-24-47-46(39)51/h1-27H
• InChIKey: CCYKQGISBKVWHB-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.76
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?

The IUPAC name of 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (CID 169276047) is 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.

What is the SMILES notation for 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?

The canonical SMILES for 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)nc(-c4cccc5ccccc45)n3)ccc2c1.

What is the InChIKey of 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?

The InChIKey is CCYKQGISBKVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5O/c1-2-11-30-25-31(19-18-28(30)9-1)43-48-44(50-45(49-43)38-15-7-12-29-10-3-4-13-34(29)38)32-20-22-36-37-23-21-33(27-42(37)52-41(36)26-32)51-40-17-6-5-14-35(40)39-16-8-24-47-46(39)51/h1-27H.

What are the key properties of 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?

9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole has a molecular weight of 665.76 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 169276047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).