6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine

C57H33N3O2S — CID 90265731

About 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine

6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90265731) has the molecular formula C57H33N3O2S and a molecular weight of 823.98 g/mol. Its IUPAC name is 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 90265731
• Molecular Formula: C57H33N3O2S
• Molecular Weight: 823.98 g/mol
• Exact Mass: 823.23
• IUPAC Name: 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
• SMILES: c1cc(-c2cccc(-c3ccc4sc5cnc(-c6cccc(-c7cccc(-c8ccc9oc%10ncccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3oc4ncccc4c3c2)c1
• InChI: InChI=1S/C57H33N3O2S/c1-7-34(25-37(10-1)41-17-20-52-47(29-41)45-15-5-23-58-56(45)61-52)35-8-2-12-39(26-35)43-19-22-54-49(31-43)50-32-51(60-33-55(50)63-54)44-14-4-13-40(28-44)36-9-3-11-38(27-36)42-18-21-53-48(30-42)46-16-6-24-59-57(46)62-53/h1-33H
• InChIKey: XRDISVAETRWCAY-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 64.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.98
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine (CID 90265731) is 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine is c1cc(-c2cccc(-c3ccc4sc5cnc(-c6cccc(-c7cccc(-c8ccc9oc%10ncccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3oc4ncccc4c3c2)c1.

What is the InChIKey of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is XRDISVAETRWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2S/c1-7-34(25-37(10-1)41-17-20-52-47(29-41)45-15-5-23-58-56(45)61-52)35-8-2-12-39(26-35)43-19-22-54-49(31-43)50-32-51(60-33-55(50)63-54)44-14-4-13-40(28-44)36-9-3-11-38(27-36)42-18-21-53-48(30-42)46-16-6-24-59-57(46)62-53/h1-33H.

What are the key properties of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine?

6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 823.98 g/mol, XLogP of 16.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90265731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).