2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine

C51H43N5 — CID 164779851

About 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine

2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine (PubChem CID 164779851) has the molecular formula C51H43N5 and a molecular weight of 725.94 g/mol. Its IUPAC name is 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine.

Molecular Properties

• Compound Name: 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine
• PubChem CID: 164779851
• Molecular Formula: C51H43N5
• Molecular Weight: 725.94 g/mol
• Exact Mass: 725.35
• IUPAC Name: 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine
• SMILES: Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5C5CCCCC5)c4)n3)c2)c(C)n1
• InChI: InChI=1S/C51H43N5/c1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)46-33-45(36-17-7-3-8-18-36)53-51(54-46)43-28-16-27-42(32-43)50-49(39-23-13-6-14-24-39)55-47(37-19-9-4-10-20-37)48(56-50)38-21-11-5-12-22-38/h3-5,7-12,15-22,25-33,39H,6,13-14,23-24H2,1-2H3
• InChIKey: OBUYTEKOOVZVHX-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.94
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine?

The IUPAC name of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine (CID 164779851) is 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine.

What is the SMILES notation for 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine?

The canonical SMILES for 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine is Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5C5CCCCC5)c4)n3)c2)c(C)n1.

What is the InChIKey of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine?

The InChIKey is OBUYTEKOOVZVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N5/c1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)46-33-45(36-17-7-3-8-18-36)53-51(54-46)43-28-16-27-42(32-43)50-49(39-23-13-6-14-24-39)55-47(37-19-9-4-10-20-37)48(56-50)38-21-11-5-12-22-38/h3-5,7-12,15-22,25-33,39H,6,13-14,23-24H2,1-2H3.

What are the key properties of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine?

2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine has a molecular weight of 725.94 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine is sourced from PubChem (CID 164779851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).