3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol

C50H33N3O2 — CID 154588908

About 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol

3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol (PubChem CID 154588908) has the molecular formula C50H33N3O2 and a molecular weight of 707.83 g/mol. Its IUPAC name is 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol.

Molecular Properties

• Compound Name: 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol
• PubChem CID: 154588908
• Molecular Formula: C50H33N3O2
• Molecular Weight: 707.83 g/mol
• Exact Mass: 707.26
• IUPAC Name: 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccc(-c4ccccc4-c4cc(O)cc(-c5ccccc5-c5ccc(-c6ccc7ccccc7n6)cc5)c4)cn3)cccc12
• InChI: InChI=1S/C50H33N3O2/c1-31-17-24-44-43-14-8-15-45(49(43)55-50(44)52-31)48-26-23-35(30-51-48)40-11-4-6-13-42(40)37-27-36(28-38(54)29-37)41-12-5-3-10-39(41)32-18-20-34(21-19-32)47-25-22-33-9-2-7-16-46(33)53-47/h2-30,54H,1H3
• InChIKey: JSQKSVDWWRDXPT-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 72.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.83
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol?

The IUPAC name of 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol (CID 154588908) is 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol.

What is the SMILES notation for 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol?

The canonical SMILES for 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol is Cc1ccc2c(n1)oc1c(-c3ccc(-c4ccccc4-c4cc(O)cc(-c5ccccc5-c5ccc(-c6ccc7ccccc7n6)cc5)c4)cn3)cccc12.

What is the InChIKey of 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol?

The InChIKey is JSQKSVDWWRDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O2/c1-31-17-24-44-43-14-8-15-45(49(43)55-50(44)52-31)48-26-23-35(30-51-48)40-11-4-6-13-42(40)37-27-36(28-38(54)29-37)41-12-5-3-10-39(41)32-18-20-34(21-19-32)47-25-22-33-9-2-7-16-46(33)53-47/h2-30,54H,1H3.

What are the key properties of 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol?

3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol has a molecular weight of 707.83 g/mol, XLogP of 12.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenol is sourced from PubChem (CID 154588908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).