8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine

C40H22N2O3 — CID 90291990

About 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine

8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 90291990) has the molecular formula C40H22N2O3 and a molecular weight of 578.63 g/mol. Its IUPAC name is 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 90291990
• Molecular Formula: C40H22N2O3
• Molecular Weight: 578.63 g/mol
• Exact Mass: 578.16
• IUPAC Name: 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
• SMILES: c1cc(-c2ccc3oc4ccncc4c3c2)cc(-c2ccc3oc4ccc(-c5ccc6oc7ccncc7c6c5)cc4c3c2)c1
• InChI: InChI=1S/C40H22N2O3/c1-2-23(16-24(3-1)26-5-10-37-31(19-26)33-21-41-14-12-39(33)44-37)25-4-8-35-29(17-25)30-18-27(6-9-36(30)43-35)28-7-11-38-32(20-28)34-22-42-15-13-40(34)45-38/h1-22H
• InChIKey: OOBNHEUZDCMQNT-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 65.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.63
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine (CID 90291990) is 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine is c1cc(-c2ccc3oc4ccncc4c3c2)cc(-c2ccc3oc4ccc(-c5ccc6oc7ccncc7c6c5)cc4c3c2)c1.

What is the InChIKey of 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The InChIKey is OOBNHEUZDCMQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2O3/c1-2-23(16-24(3-1)26-5-10-37-31(19-26)33-21-41-14-12-39(33)44-37)25-4-8-35-29(17-25)30-18-27(6-9-36(30)43-35)28-7-11-38-32(20-28)34-22-42-15-13-40(34)45-38/h1-22H.

What are the key properties of 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 578.63 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 90291990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).