5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole

C34H20IN3O — CID 67094853

About 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole

5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole (PubChem CID 67094853) has the molecular formula C34H20IN3O and a molecular weight of 613.46 g/mol. Its IUPAC name is 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
• PubChem CID: 67094853
• Molecular Formula: C34H20IN3O
• Molecular Weight: 613.46 g/mol
• Exact Mass: 613.07
• IUPAC Name: 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
• SMILES: Ic1ccc2oc3ccc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)cc3c2c1
• InChI: InChI=1S/C34H20IN3O/c35-22-11-14-32-26(19-22)27-20-23(12-15-33(27)39-32)38-30-13-10-21(18-28(30)34-31(38)9-5-17-37-34)24-6-1-2-7-25(24)29-8-3-4-16-36-29/h1-20H
• InChIKey: SVPGICSAARPXLB-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.46
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?

The IUPAC name of 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole (CID 67094853) is 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole.

What is the SMILES notation for 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?

The canonical SMILES for 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole is Ic1ccc2oc3ccc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)cc3c2c1.

What is the InChIKey of 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?

The InChIKey is SVPGICSAARPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20IN3O/c35-22-11-14-32-26(19-22)27-20-23(12-15-33(27)39-32)38-30-13-10-21(18-28(30)34-31(38)9-5-17-37-34)24-6-1-2-7-25(24)29-8-3-4-16-36-29/h1-20H.

What are the key properties of 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?

5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole has a molecular weight of 613.46 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 67094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).