2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine

C103H75N9 — CID 164979934

About 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine

2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164979934) has the molecular formula C103H75N9 and a molecular weight of 1438.80 g/mol. Its IUPAC name is 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 164979934
• Molecular Formula: C103H75N9
• Molecular Weight: 1438.80 g/mol
• Exact Mass: 1437.61
• IUPAC Name: 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
• SMILES: Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5)cc4)n3)c2)c(C)n1
• InChI: InChI=1S/C52H38N4.C51H37N5/c1-35-26-31-46(36(2)53-35)43-24-15-25-44(32-43)52-55-50(41-22-13-6-14-23-41)54-51(56-52)42-29-27-37(28-30-42)45-33-47(38-16-7-3-8-17-38)49(40-20-11-5-12-21-40)48(34-45)39-18-9-4-10-19-39;1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)45-33-46(54-51(53-45)39-23-13-6-14-24-39)42-27-16-28-43(32-42)50-49(38-21-11-5-12-22-38)55-47(36-17-7-3-8-18-36)48(56-50)37-19-9-4-10-20-37/h3-34H,1-2H3;3-33H,1-2H3
• InChIKey: FIKNRCNFYNUDOT-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1438.80
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (CID 164979934) is 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine is Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5)cc4)n3)c2)c(C)n1.

What is the InChIKey of 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is FIKNRCNFYNUDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4.C51H37N5/c1-35-26-31-46(36(2)53-35)43-24-15-25-44(32-43)52-55-50(41-22-13-6-14-23-41)54-51(56-52)42-29-27-37(28-30-42)45-33-47(38-16-7-3-8-17-38)49(40-20-11-5-12-21-40)48(34-45)39-18-9-4-10-19-39;1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)45-33-46(54-51(53-45)39-23-13-6-14-24-39)42-27-16-28-43(32-42)50-49(38-21-11-5-12-22-38)55-47(36-17-7-3-8-18-36)48(56-50)37-19-9-4-10-20-37/h3-34H,1-2H3;3-33H,1-2H3.

What are the key properties of 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?

2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1438.80 g/mol, XLogP of 25.83, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164979934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).