4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine

C106H70N14 — CID 165030163

About 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine

4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine (PubChem CID 165030163) has the molecular formula C106H70N14 and a molecular weight of 1539.82 g/mol. Its IUPAC name is 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine
• PubChem CID: 165030163
• Molecular Formula: C106H70N14
• Molecular Weight: 1539.82 g/mol
• Exact Mass: 1538.59
• IUPAC Name: 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine
• SMILES: c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)nc(-c3ncccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/2C53H35N7/c1-6-17-36(18-7-1)42-32-49(48-31-41(28-30-54-48)46-34-44(37-19-8-2-9-20-37)57-52(59-46)39-23-12-4-13-24-39)56-50(33-42)51-43(27-16-29-55-51)47-35-45(38-21-10-3-11-22-38)58-53(60-47)40-25-14-5-15-26-40;1-6-16-36(17-7-1)43-32-50(48-30-41(26-28-54-48)46-34-44(37-18-8-2-9-19-37)57-52(59-46)39-22-12-4-13-23-39)56-51(33-43)49-31-42(27-29-55-49)47-35-45(38-20-10-3-11-21-38)58-53(60-47)40-24-14-5-15-25-40/h2*1-35H
• InChIKey: MNGIIKNMGALZFO-UHFFFAOYSA-N
• XLogP: 24.91
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.82
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

The IUPAC name of 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine (CID 165030163) is 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine.

What is the SMILES notation for 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

The canonical SMILES for 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)nc(-c3ncccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

The InChIKey is MNGIIKNMGALZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H35N7/c1-6-17-36(18-7-1)42-32-49(48-31-41(28-30-54-48)46-34-44(37-19-8-2-9-20-37)57-52(59-46)39-23-12-4-13-24-39)56-50(33-42)51-43(27-16-29-55-51)47-35-45(38-21-10-3-11-22-38)58-53(60-47)40-25-14-5-15-26-40;1-6-16-36(17-7-1)43-32-50(48-30-41(26-28-54-48)46-34-44(37-18-8-2-9-19-37)57-52(59-46)39-22-12-4-13-23-39)56-51(33-43)49-31-42(27-29-55-49)47-35-45(38-20-10-3-11-21-38)58-53(60-47)40-24-14-5-15-25-40/h2*1-35H.

What are the key properties of 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine has a molecular weight of 1539.82 g/mol, XLogP of 24.91, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 165030163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).