2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine

C38H22F4N2O — CID 148622965

About 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine

2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine (PubChem CID 148622965) has the molecular formula C38H22F4N2O and a molecular weight of 598.60 g/mol. Its IUPAC name is 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine.

Molecular Properties

• Compound Name: 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine
• PubChem CID: 148622965
• Molecular Formula: C38H22F4N2O
• Molecular Weight: 598.60 g/mol
• Exact Mass: 598.17
• IUPAC Name: 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine
• SMILES: Fc1cc(F)c(-c2ccccn2)c(-c2ccc(-c3ccc(-c4ccc(-c5cc(F)cc(F)c5-c5ccccn5)cc4)o3)cc2)c1
• InChI: InChI=1S/C38H22F4N2O/c39-27-19-29(37(31(41)21-27)33-5-1-3-17-43-33)23-7-11-25(12-8-23)35-15-16-36(45-35)26-13-9-24(10-14-26)30-20-28(40)22-32(42)38(30)34-6-2-4-18-44-34/h1-22H
• InChIKey: NGQKLTQDKVXKOE-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.60
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine?

The IUPAC name of 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine (CID 148622965) is 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine.

What is the SMILES notation for 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine?

The canonical SMILES for 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine is Fc1cc(F)c(-c2ccccn2)c(-c2ccc(-c3ccc(-c4ccc(-c5cc(F)cc(F)c5-c5ccccn5)cc4)o3)cc2)c1.

What is the InChIKey of 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine?

The InChIKey is NGQKLTQDKVXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F4N2O/c39-27-19-29(37(31(41)21-27)33-5-1-3-17-43-33)23-7-11-25(12-8-23)35-15-16-36(45-35)26-13-9-24(10-14-26)30-20-28(40)22-32(42)38(30)34-6-2-4-18-44-34/h1-22H.

What are the key properties of 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine?

2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine has a molecular weight of 598.60 g/mol, XLogP of 10.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[5-[4-(3,5-difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine is sourced from PubChem (CID 148622965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).