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

C106H70N14 — CID 165050181

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

2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 165050181) has the molecular formula C106H70N14 and a molecular weight of 1539.82 g/mol. Its IUPAC name is 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
• PubChem CID: 165050181
• Molecular Formula: C106H70N14
• Molecular Weight: 1539.82 g/mol
• Exact Mass: 1538.59
• IUPAC Name: 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ncccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccn5)nc(-c5ncccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1
• InChI: InChI=1S/2C53H35N7/c1-5-17-36(18-6-1)45-34-46(37-19-7-2-8-20-37)59-53(58-45)41-26-15-25-40(31-41)42-32-49(44-28-13-14-29-54-44)56-50(33-42)51-43(27-16-30-55-51)48-35-47(38-21-9-3-10-22-38)57-52(60-48)39-23-11-4-12-24-39;1-5-16-37(17-6-1)45-34-46(38-18-7-2-8-19-38)58-53(57-45)41-28-26-36(27-29-41)42-32-49(44-25-13-14-30-54-44)56-50(33-42)51-43(24-15-31-55-51)48-35-47(39-20-9-3-10-21-39)59-52(60-48)40-22-11-4-12-23-40/h2*1-35H
• InChIKey: PNSNEDIGJGRBEE-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 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine?

The IUPAC name of 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine (CID 165050181) is 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine.

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

The canonical SMILES for 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ncccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccn5)nc(-c5ncccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1.

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

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

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

2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-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 2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 165050181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).