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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole

C170H119F9N14O7P2 — CID 159257931

About 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 159257931) has the molecular formula C170H119F9N14O7P2 and a molecular weight of 2702.84 g/mol. Its IUPAC name is 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 159257931
• Molecular Formula: C170H119F9N14O7P2
• Molecular Weight: 2702.84 g/mol
• Exact Mass: 2700.87
• IUPAC Name: 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.Cc1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)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.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C61H35F9N8O4.C49H40N4O2.C36H28OP2.C24H16N2/c1-34-6-2-7-39(30-34)54-75-71-50(79-54)35-14-22-43(23-15-35)58(44-24-16-36(17-25-44)51-72-76-55(80-51)40-8-3-11-47(31-40)59(62,63)64,45-26-18-37(19-27-45)52-73-77-56(81-52)41-9-4-12-48(32-41)60(65,66)67)46-28-20-38(21-29-46)53-74-78-57(82-53)42-10-5-13-49(33-42)61(68,69)70;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;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h2-33H,1H3;7-28H,1-6H3;1-28H;1-16H
• InChIKey: KWDHRJRQSNZAKE-UHFFFAOYSA-N
• XLogP: 41.47
• TPSA: 268.53 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.84
LogP ≤ 5	41.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole (CID 159257931) is 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.Cc1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)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.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is KWDHRJRQSNZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F9N8O4.C49H40N4O2.C36H28OP2.C24H16N2/c1-34-6-2-7-39(30-34)54-75-71-50(79-54)35-14-22-43(23-15-35)58(44-24-16-36(17-25-44)51-72-76-55(80-51)40-8-3-11-47(31-40)59(62,63)64,45-26-18-37(19-27-45)52-73-77-56(81-52)41-9-4-12-48(32-41)60(65,66)67)46-28-20-38(21-29-46)53-74-78-57(82-53)42-10-5-13-49(33-42)61(68,69)70;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;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h2-33H,1H3;7-28H,1-6H3;1-28H;1-16H.

What are the key properties of 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 2702.84 g/mol, XLogP of 41.47, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159257931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).