8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

C58H35N3O2 — CID 90265578

About 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90265578) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 90265578
• Molecular Formula: C58H35N3O2
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.27
• IUPAC Name: 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-n2c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3c3nc(-c4cccc(-c5cccc(-c6ccc7oc8cccnc8c7c6)c5)c4)ccc32)cc1
• InChI: InChI=1S/C58H35N3O2/c1-2-16-45(17-3-1)61-51-25-21-41(37-11-7-12-38(31-37)42-22-27-54-47(33-42)46-18-4-5-19-53(46)62-54)34-48(51)57-52(61)26-24-50(60-57)44-15-8-14-40(32-44)36-10-6-13-39(30-36)43-23-28-55-49(35-43)58-56(63-55)20-9-29-59-58/h1-35H
• InChIKey: BIKADBOPYOJANT-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 56.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90265578) is 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3c3nc(-c4cccc(-c5cccc(-c6ccc7oc8cccnc8c7c6)c5)c4)ccc32)cc1.

What is the InChIKey of 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is BIKADBOPYOJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-2-16-45(17-3-1)61-51-25-21-41(37-11-7-12-38(31-37)42-22-27-54-47(33-42)46-18-4-5-19-53(46)62-54)34-48(51)57-52(61)26-24-50(60-57)44-15-8-14-40(32-44)36-10-6-13-39(30-36)43-23-28-55-49(35-43)58-56(63-55)20-9-29-59-58/h1-35H.

What are the key properties of 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 805.94 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90265578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).