2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine

C159H105N21 — CID 165077406

About 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine

2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine (PubChem CID 165077406) has the molecular formula C159H105N21 and a molecular weight of 2309.74 g/mol. Its IUPAC name is 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine
• PubChem CID: 165077406
• Molecular Formula: C159H105N21
• Molecular Weight: 2309.74 g/mol
• Exact Mass: 2307.89
• IUPAC Name: 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(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(-c3ncccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cn3)nc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)nc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)n3)c2)cc1
• InChI: InChI=1S/3C53H35N7/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;1-6-17-36(18-7-1)42-31-49(43-30-29-41(35-54-43)53-58-46(37-19-8-2-9-20-37)33-47(59-53)38-21-10-3-11-22-38)56-50(32-42)44-27-16-28-45(55-44)51-34-48(39-23-12-4-13-24-39)57-52(60-51)40-25-14-5-15-26-40;1-6-16-36(17-7-1)43-30-50(44-28-26-41(34-54-44)49-33-48(39-22-12-4-13-23-39)57-52(60-49)40-24-14-5-15-25-40)56-51(31-43)45-29-27-42(35-55-45)53-58-46(37-18-8-2-9-19-37)32-47(59-53)38-20-10-3-11-21-38/h3*1-35H
• InChIKey: UNTGGFALYITPLU-UHFFFAOYSA-N
• XLogP: 37.36
• TPSA: 270.69 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2309.74
LogP ≤ 5	37.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

The IUPAC name of 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine (CID 165077406) is 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine.

What is the SMILES notation for 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

The canonical SMILES for 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(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(-c3ncccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cn3)nc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)nc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)n3)c2)cc1.

What is the InChIKey of 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

The InChIKey is UNTGGFALYITPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C53H35N7/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;1-6-17-36(18-7-1)42-31-49(43-30-29-41(35-54-43)53-58-46(37-19-8-2-9-20-37)33-47(59-53)38-21-10-3-11-22-38)56-50(32-42)44-27-16-28-45(55-44)51-34-48(39-23-12-4-13-24-39)57-52(60-51)40-25-14-5-15-26-40;1-6-16-36(17-7-1)43-30-50(44-28-26-41(34-54-44)49-33-48(39-22-12-4-13-23-39)57-52(60-49)40-24-14-5-15-25-40)56-51(31-43)45-29-27-42(35-55-45)53-58-46(37-18-8-2-9-19-37)32-47(59-53)38-20-10-3-11-21-38/h3*1-35H.

What are the key properties of 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine?

2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine has a molecular weight of 2309.74 g/mol, XLogP of 37.36, 27 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 165077406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).