7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine

C68H44N4O4 — CID 158403740

About 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine

7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 158403740) has the molecular formula C68H44N4O4 and a molecular weight of 981.12 g/mol. Its IUPAC name is 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 158403740
• Molecular Formula: C68H44N4O4
• Molecular Weight: 981.12 g/mol
• Exact Mass: 980.34
• IUPAC Name: 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
• SMILES: c1ccc(-c2ccc3c(c2)oc2cccnc23)cc1.c1ccc(-c2ccc3c(c2)oc2ccncc23)cc1.c1ccc(-c2ccc3c(c2)oc2cnccc23)cc1.c1ccc(-c2ccc3c(c2)oc2ncccc23)cc1
• InChI: InChI=1S/4C17H11NO/c1-2-5-12(6-3-1)13-8-9-14-16(11-13)19-15-7-4-10-18-17(14)15;1-2-5-12(6-3-1)13-8-9-14-15-7-4-10-18-17(15)19-16(14)11-13;1-2-4-12(5-3-1)13-6-7-14-15-11-18-9-8-16(15)19-17(14)10-13;1-2-4-12(5-3-1)13-6-7-14-15-8-9-18-11-17(15)19-16(14)10-13/h4*1-11H
• InChIKey: GYKNYRWLACOWFM-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 104.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.12
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine (CID 158403740) is 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2ccc3c(c2)oc2cccnc23)cc1.c1ccc(-c2ccc3c(c2)oc2ccncc23)cc1.c1ccc(-c2ccc3c(c2)oc2cnccc23)cc1.c1ccc(-c2ccc3c(c2)oc2ncccc23)cc1.

What is the InChIKey of 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine?

The InChIKey is GYKNYRWLACOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H11NO/c1-2-5-12(6-3-1)13-8-9-14-16(11-13)19-15-7-4-10-18-17(14)15;1-2-5-12(6-3-1)13-8-9-14-15-7-4-10-18-17(15)19-16(14)11-13;1-2-4-12(5-3-1)13-6-7-14-15-11-18-9-8-16(15)19-17(14)10-13;1-2-4-12(5-3-1)13-6-7-14-15-8-9-18-11-17(15)19-16(14)10-13/h4*1-11H.

What are the key properties of 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine?

7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 981.12 g/mol, XLogP of 18.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 158403740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).