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

C56H34N4O2 — CID 122489587

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

2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 122489587) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
• PubChem CID: 122489587
• Molecular Formula: C56H34N4O2
• Molecular Weight: 794.91 g/mol
• Exact Mass: 794.27
• IUPAC Name: 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7c(n6)oc6ccccc67)cc5)cc4)c4c(n3)oc3ccccc34)c2)cc1
• InChI: InChI=1S/C56H34N4O2/c1-3-13-35(14-4-1)41-17-11-19-43(33-41)52-50-46-22-8-10-24-48(46)62-56(50)59-53(58-52)40-31-27-38(28-32-40)37-25-29-39(30-26-37)51-49-45-21-7-9-23-47(45)61-55(49)60-54(57-51)44-20-12-18-42(34-44)36-15-5-2-6-16-36/h1-34H
• InChIKey: DYBXDWKEHVRQKX-UHFFFAOYSA-N
• XLogP: 14.73
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.91
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 122489587) is 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

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

The canonical SMILES for 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7c(n6)oc6ccccc67)cc5)cc4)c4c(n3)oc3ccccc34)c2)cc1.

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

The InChIKey is DYBXDWKEHVRQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c1-3-13-35(14-4-1)41-17-11-19-43(33-41)52-50-46-22-8-10-24-48(46)62-56(50)59-53(58-52)40-31-27-38(28-32-40)37-25-29-39(30-26-37)51-49-45-21-7-9-23-47(45)61-55(49)60-54(57-51)44-20-12-18-42(34-44)36-15-5-2-6-16-36/h1-34H.

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

2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 794.91 g/mol, XLogP of 14.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 122489587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).