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

C₄₄H₂₅N₅O₂ — CID 156577807

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

9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (PubChem CID 156577807) has the molecular formula C₄₄H₂₅N₅O₂ and a molecular weight of 655.72 g/mol. Its IUPAC name is 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
• PubChem CID: 156577807
• Molecular Formula: C₄₄H₂₅N₅O₂
• Molecular Weight: 655.72 g/mol
• Exact Mass: 655.20
• IUPAC Name: 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cccnc65)ccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C44H25N5O2/c1-2-9-26(10-3-1)41-46-42(27-17-21-38-35(23-27)31-12-5-7-15-37(31)50-38)48-43(47-41)28-16-19-32-33-20-18-29(25-40(33)51-39(32)24-28)49-36-14-6-4-11-30(36)34-13-8-22-45-44(34)49/h1-25H
• InChIKey: BRSWVOQLGGRQBX-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 82.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.72
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (CID 156577807) is 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.

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

The canonical SMILES for 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cccnc65)ccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.

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

The InChIKey is BRSWVOQLGGRQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5O2/c1-2-9-26(10-3-1)41-46-42(27-17-21-38-35(23-27)31-12-5-7-15-37(31)50-38)48-43(47-41)28-16-19-32-33-20-18-29(25-40(33)51-39(32)24-28)49-36-14-6-4-11-30(36)34-13-8-22-45-44(34)49/h1-25H.

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

9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole has a molecular weight of 655.72 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156577807 — identifiers, structure, computed properties (public domain)

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