2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

C221H165F9N20O9Si — CID 158141740

About 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158141740) has the molecular formula C221H165F9N20O9Si and a molecular weight of 3443.95 g/mol. Its IUPAC name is 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 158141740
• Molecular Formula: C221H165F9N20O9Si
• Molecular Weight: 3443.95 g/mol
• Exact Mass: 3441.27
• IUPAC Name: 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C)c6)o5)cc4)(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)cc3)o2)c1
• InChI: InChI=1S/C61H38F6N8O4.C57H39F3N6O2.C49H40N4O2.C30H26Si.C24H22N2O/c1-35-7-3-9-41(31-35)55-72-68-51(76-55)37-15-23-45(24-16-37)59(46-25-17-38(18-26-46)52-69-73-56(77-52)42-10-4-8-36(2)32-42,47-27-19-39(20-28-47)53-70-74-57(78-53)43-11-5-13-49(33-43)60(62,63)64)48-29-21-40(22-30-48)54-71-75-58(79-54)44-12-6-14-50(34-44)61(65,66)67;1-56(57(58,59)60,44-26-34-48(35-27-44)67-46-30-22-42(23-31-46)54-63-50(38-14-6-2-7-15-38)61-51(64-54)39-16-8-3-9-17-39)45-28-36-49(37-29-45)68-47-32-24-43(25-33-47)55-65-52(40-18-10-4-11-19-40)62-53(66-55)41-20-12-5-13-21-41;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-34H,1-2H3;2-37H,1H3;7-28H,1-6H3;3-22H,1-2H3;4-16H,1-3H3
• InChIKey: FUAITENXEWDCIL-UHFFFAOYSA-N
• XLogP: 56.54
• TPSA: 368.24 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3443.95
LogP ≤ 5	56.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158141740) is 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C)c6)o5)cc4)(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)cc3)o2)c1.

What is the InChIKey of 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is FUAITENXEWDCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F6N8O4.C57H39F3N6O2.C49H40N4O2.C30H26Si.C24H22N2O/c1-35-7-3-9-41(31-35)55-72-68-51(76-55)37-15-23-45(24-16-37)59(46-25-17-38(18-26-46)52-69-73-56(77-52)42-10-4-8-36(2)32-42,47-27-19-39(20-28-47)53-70-74-57(78-53)43-11-5-13-49(33-43)60(62,63)64)48-29-21-40(22-30-48)54-71-75-58(79-54)44-12-6-14-50(34-44)61(65,66)67;1-56(57(58,59)60,44-26-34-48(35-27-44)67-46-30-22-42(23-31-46)54-63-50(38-14-6-2-7-15-38)61-51(64-54)39-16-8-3-9-17-39)45-28-36-49(37-29-45)68-47-32-24-43(25-33-47)55-65-52(40-18-10-4-11-19-40)62-53(66-55)41-20-12-5-13-21-41;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-34H,1-2H3;2-37H,1H3;7-28H,1-6H3;3-22H,1-2H3;4-16H,1-3H3.

What are the key properties of 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3443.95 g/mol, XLogP of 56.54, 35 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[bis[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158141740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).