5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine

C46H29N3O2 — CID 153204159

About 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine

5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine (PubChem CID 153204159) has the molecular formula C46H29N3O2 and a molecular weight of 655.76 g/mol. Its IUPAC name is 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine
• PubChem CID: 153204159
• Molecular Formula: C46H29N3O2
• Molecular Weight: 655.76 g/mol
• Exact Mass: 655.23
• IUPAC Name: 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine
• SMILES: C1=C(c2cc(-c3cc4nc(-c5ccccc5)ccc4o3)cc(-c3cc4nc(-c5ccccc5)ccc4o3)c2)Cc2ccc(-c3ccccc3)nc21
• InChI: InChI=1S/C46H29N3O2/c1-4-10-29(11-5-1)37-17-16-32-22-34(26-40(32)47-37)33-23-35(45-27-41-43(50-45)20-18-38(48-41)30-12-6-2-7-13-30)25-36(24-33)46-28-42-44(51-46)21-19-39(49-42)31-14-8-3-9-15-31/h1-21,23-28H,22H2
• InChIKey: WKMJDUCGGCKRSH-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.76
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine?

The IUPAC name of 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine (CID 153204159) is 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine.

What is the SMILES notation for 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine?

The canonical SMILES for 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine is C1=C(c2cc(-c3cc4nc(-c5ccccc5)ccc4o3)cc(-c3cc4nc(-c5ccccc5)ccc4o3)c2)Cc2ccc(-c3ccccc3)nc21.

What is the InChIKey of 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine?

The InChIKey is WKMJDUCGGCKRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O2/c1-4-10-29(11-5-1)37-17-16-32-22-34(26-40(32)47-37)33-23-35(45-27-41-43(50-45)20-18-38(48-41)30-12-6-2-7-13-30)25-36(24-33)46-28-42-44(51-46)21-19-39(49-42)31-14-8-3-9-15-31/h1-21,23-28H,22H2.

What are the key properties of 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine?

5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine has a molecular weight of 655.76 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 153204159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).