4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine

C38H22N4O2 — CID 142336447

IUPAC4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4ccncc4)cc(-c4ccnc5c4oc4ccc(-c6ccncc6)cc45)c3)ccnc12
InChIInChI=1S/C38H22N4O2/c1-2-4-33-31(3-1)35-37(43-33)29(11-17-41-35)27-19-26(24-9-15-40-16-10-24)20-28(21-27)30-12-18-42-36-32-22-25(23-7-13-39-14-8-23)5-6-34(32)44-38(30)36/h1-22H
InChIKeyBKCLQKZBMPGREV-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.73
Rot. Bonds4

About 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine

4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336447) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID142336447
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4ccncc4)cc(-c4ccnc5c4oc4ccc(-c6ccncc6)cc45)c3)ccnc12
InChIInChI=1S/C38H22N4O2/c1-2-4-33-31(3-1)35-37(43-33)29(11-17-41-35)27-19-26(24-9-15-40-16-10-24)20-28(21-27)30-12-18-42-36-32-22-25(23-7-13-39-14-8-23)5-6-34(32)44-38(30)36/h1-22H
InChIKeyBKCLQKZBMPGREV-UHFFFAOYSA-N
XLogP9.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 152909253
4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336465
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-pyridin-4-yl-8-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)-[1]benzofuro[3,2-b]pyridine;4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-pyrimidin-2-yl-8-(4-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl)-[1]benzofuro[3,2-b]pyridine
CID 159460465
4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 142336373
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 153311745
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371

Frequently Asked Questions

What is the IUPAC name of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine (CID 142336447) is 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1c(-c3cc(-c4ccncc4)cc(-c4ccnc5c4oc4ccc(-c6ccncc6)cc45)c3)ccnc12.
What is the InChIKey of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is BKCLQKZBMPGREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-2-4-33-31(3-1)35-37(43-33)29(11-17-41-35)27-19-26(24-9-15-40-16-10-24)20-28(21-27)30-12-18-42-36-32-22-25(23-7-13-39-14-8-23)5-6-34(32)44-38(30)36/h1-22H.
What are the key properties of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine?
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 566.62 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).