2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

C62H38N4O2 — CID 122489923

About 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 122489923) has the molecular formula C62H38N4O2 and a molecular weight of 871.01 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
• PubChem CID: 122489923
• Molecular Formula: C62H38N4O2
• Molecular Weight: 871.01 g/mol
• Exact Mass: 870.30
• IUPAC Name: 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5oc6ccccc6c45)c4c(n3)oc3ccccc34)c2)cc1
• InChI: InChI=1S/C62H38N4O2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)59-63-57(55-51-33-13-15-35-53(51)67-61(55)65-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)58-56-52-34-14-16-36-54(52)68-62(56)66-60(64-58)44-26-18-24-42(38-44)40-21-5-2-6-22-40/h1-38H
• InChIKey: UETIPZCZQNTDAM-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.01
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?

The IUPAC name of 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 122489923) is 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

What is the SMILES notation for 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?

The canonical SMILES for 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5oc6ccccc6c45)c4c(n3)oc3ccccc34)c2)cc1.

What is the InChIKey of 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?

The InChIKey is UETIPZCZQNTDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)59-63-57(55-51-33-13-15-35-53(51)67-61(55)65-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)58-56-52-34-14-16-36-54(52)68-62(56)66-60(64-58)44-26-18-24-42(38-44)40-21-5-2-6-22-40/h1-38H.

What are the key properties of 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?

2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 871.01 g/mol, XLogP of 16.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 122489923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).