4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine

C55H31N5O3 — CID 163923291

About 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine

4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 163923291) has the molecular formula C55H31N5O3 and a molecular weight of 809.89 g/mol. Its IUPAC name is 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 163923291
• Molecular Formula: C55H31N5O3
• Molecular Weight: 809.89 g/mol
• Exact Mass: 809.24
• IUPAC Name: 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5ccc(-c7cccnc7)cc56)ccc4-c4ccnc5c4oc4ccc(-c6cccnc6)cc45)ccnc23)cc1
• InChI: InChI=1S/C55H31N5O3/c1-2-7-32(8-3-1)38-11-4-12-43-49-55(63-52(38)43)42(21-26-58-49)44-29-35(39-19-24-59-50-45-27-33(36-9-5-22-56-30-36)14-17-47(45)61-53(39)50)13-16-40(44)41-20-25-60-51-46-28-34(37-10-6-23-57-31-37)15-18-48(46)62-54(41)51/h1-31H
• InChIKey: RCHGVVIUDUDLKS-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 103.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.89
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine (CID 163923291) is 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5ccc(-c7cccnc7)cc56)ccc4-c4ccnc5c4oc4ccc(-c6cccnc6)cc45)ccnc23)cc1.

What is the InChIKey of 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine?

The InChIKey is RCHGVVIUDUDLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5O3/c1-2-7-32(8-3-1)38-11-4-12-43-49-55(63-52(38)43)42(21-26-58-49)44-29-35(39-19-24-59-50-45-27-33(36-9-5-22-56-30-36)14-17-47(45)61-53(39)50)13-16-40(44)41-20-25-60-51-46-28-34(37-10-6-23-57-31-37)15-18-48(46)62-54(41)51/h1-31H.

What are the key properties of 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine?

4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 809.89 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 163923291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).