2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine

C53H35N7 — CID 164816961

About 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine

2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 164816961) has the molecular formula C53H35N7 and a molecular weight of 769.91 g/mol. Its IUPAC name is 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
• PubChem CID: 164816961
• Molecular Formula: C53H35N7
• Molecular Weight: 769.91 g/mol
• Exact Mass: 769.30
• IUPAC Name: 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(-c5ccccn5)n4)n3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C53H35N7/c1-5-18-36(19-6-1)46-34-47(37-20-7-2-8-21-37)59-53(58-46)42-27-14-13-26-41(42)40-32-49(43-28-15-16-31-54-43)56-50(33-40)44-29-17-30-45(55-44)51-35-48(38-22-9-3-10-23-38)57-52(60-51)39-24-11-4-12-25-39/h1-35H
• InChIKey: IMQZNGNYPCYNGO-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.91
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine?

The IUPAC name of 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine (CID 164816961) is 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine.

What is the SMILES notation for 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine?

The canonical SMILES for 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(-c5ccccn5)n4)n3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine?

The InChIKey is IMQZNGNYPCYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N7/c1-5-18-36(19-6-1)46-34-47(37-20-7-2-8-21-37)59-53(58-46)42-27-14-13-26-41(42)40-32-49(43-28-15-16-31-54-43)56-50(33-40)44-29-17-30-45(55-44)51-35-48(38-22-9-3-10-23-38)57-52(60-51)39-24-11-4-12-25-39/h1-35H.

What are the key properties of 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine?

2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 769.91 g/mol, XLogP of 12.45, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 164816961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).