2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

C120H116N14O4 — CID 159306416

About 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 159306416) has the molecular formula C120H116N14O4 and a molecular weight of 1818.34 g/mol. Its IUPAC name is 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 159306416
• Molecular Formula: C120H116N14O4
• Molecular Weight: 1818.34 g/mol
• Exact Mass: 1816.93
• IUPAC Name: 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: CC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)COC(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=N1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1
• InChI: InChI=1S/C45H49N5.C38H34N4O2.C37H33N5O2/c1-30-47-42(3,4)44(7,8)49(30)38-24-20-35(21-25-38)40-28-37(34-18-16-33(17-19-34)32-14-12-11-13-15-32)29-41(46-40)36-22-26-39(27-23-36)50-31(2)48-43(5,6)45(50,9)10;1-37(2)23-43-35(41-37)30-18-14-28(15-19-30)33-22-32(27-12-10-26(11-13-27)25-8-6-5-7-9-25)39-34(40-33)29-16-20-31(21-17-29)36-42-38(3,4)24-44-36;1-36(2)22-43-34(41-36)29-18-14-27(15-19-29)32-38-31(26-12-10-25(11-13-26)24-8-6-5-7-9-24)39-33(40-32)28-16-20-30(21-17-28)35-42-37(3,4)23-44-35/h11-29H,1-10H3;5-22H,23-24H2,1-4H3;5-21H,22-23H2,1-4H3
• InChIKey: LBYZLLPSIXFYMX-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 194.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.34
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?

The IUPAC name of 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 159306416) is 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)COC(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=N1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1.

What is the InChIKey of 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?

The InChIKey is LBYZLLPSIXFYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49N5.C38H34N4O2.C37H33N5O2/c1-30-47-42(3,4)44(7,8)49(30)38-24-20-35(21-25-38)40-28-37(34-18-16-33(17-19-34)32-14-12-11-13-15-32)29-41(46-40)36-22-26-39(27-23-36)50-31(2)48-43(5,6)45(50,9)10;1-37(2)23-43-35(41-37)30-18-14-28(15-19-30)33-22-32(27-12-10-26(11-13-27)25-8-6-5-7-9-25)39-34(40-33)29-16-20-31(21-17-29)36-42-38(3,4)24-44-36;1-36(2)22-43-34(41-36)29-18-14-27(15-19-29)32-38-31(26-12-10-25(11-13-26)24-8-6-5-7-9-24)39-33(40-32)28-16-20-30(21-17-28)35-42-37(3,4)23-44-35/h11-29H,1-10H3;5-22H,23-24H2,1-4H3;5-21H,22-23H2,1-4H3.

What are the key properties of 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?

2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 1818.34 g/mol, XLogP of 27.25, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-4-(4-phenylphenyl)pyridine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 159306416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).