1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine

C75H49N3O — CID 153458604

About 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine

1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 153458604) has the molecular formula C75H49N3O and a molecular weight of 1008.24 g/mol. Its IUPAC name is 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 153458604
• Molecular Formula: C75H49N3O
• Molecular Weight: 1008.24 g/mol
• Exact Mass: 1007.39
• IUPAC Name: 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4nccc5oc6ccccc6c45)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C75H49N3O/c1-2-16-50(17-3-1)51-28-30-54(31-29-51)69-49-57(75-74-68-24-10-11-27-72(68)79-73(74)42-45-78-75)40-41-67(69)66-23-9-8-22-65(66)60-47-58(63-20-6-4-18-61(63)52-32-36-55(37-33-52)70-25-12-14-43-76-70)46-59(48-60)64-21-7-5-19-62(64)53-34-38-56(39-35-53)71-26-13-15-44-77-71/h1-49H
• InChIKey: KOEAPFWAIQEHKC-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.24
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine (CID 153458604) is 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2ccc(-c3cc(-c4nccc5oc6ccccc6c45)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1.

What is the InChIKey of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine?

The InChIKey is KOEAPFWAIQEHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N3O/c1-2-16-50(17-3-1)51-28-30-54(31-29-51)69-49-57(75-74-68-24-10-11-27-72(68)79-73(74)42-45-78-75)40-41-67(69)66-23-9-8-22-65(66)60-47-58(63-20-6-4-18-61(63)52-32-36-55(37-33-52)70-25-12-14-43-76-70)46-59(48-60)64-21-7-5-19-62(64)53-34-38-56(39-35-53)71-26-13-15-44-77-71/h1-49H.

What are the key properties of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine?

1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1008.24 g/mol, XLogP of 20.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 153458604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).