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-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane

C276H211F9N18O7P2Si4 — CID 159489652

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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane

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-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane (PubChem CID 159489652) has the molecular formula C276H211F9N18O7P2Si4 and a molecular weight of 4237.12 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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane.

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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane
• PubChem CID: 159489652
• Molecular Formula: C276H211F9N18O7P2Si4
• Molecular Weight: 4237.12 g/mol
• Exact Mass: 4233.51
• 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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.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.Cc1cccc(C2=CC3=C([SiH2]2)C2=C(C=C(c4cccc([Si](C)(C)C)c4)[SiH2]2)C3(c2ccccc2)c2ccccc2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C61H35F9N8O4.C49H40N4O2.C38H30N4Si.C37H36Si3.C36H28OP2.C31H26.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;1-43(2)37(33-23-13-21-31(41-33)29-19-9-11-25-39-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(43)34-24-14-22-32(42-34)30-20-10-12-26-40-30;1-25-13-11-14-26(21-25)33-23-31-35(38-33)36-32(24-34(39-36)27-15-12-20-30(22-27)40(2,3)4)37(31,28-16-7-5-8-17-28)29-18-9-6-10-19-29;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;1-31(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;1-3-7-17(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;3-26H,1-2H3;5-24H,38-39H2,1-4H3;1-28H;3-22H,1-2H3;1-16H
• InChIKey: LYAGITKZUGXGFX-UHFFFAOYSA-N
• XLogP: 65.44
• TPSA: 320.09 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 316
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4237.12
LogP ≤ 5	65.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane?

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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane (CID 159489652) 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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane.

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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane?

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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane is CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.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.Cc1cccc(C2=CC3=C([SiH2]2)C2=C(C=C(c4cccc([Si](C)(C)C)c4)[SiH2]2)C3(c2ccccc2)c2ccccc2)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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane?

The InChIKey is LYAGITKZUGXGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F9N8O4.C49H40N4O2.C38H30N4Si.C37H36Si3.C36H28OP2.C31H26.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;1-43(2)37(33-23-13-21-31(41-33)29-19-9-11-25-39-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(43)34-24-14-22-32(42-34)30-20-10-12-26-40-30;1-25-13-11-14-26(21-25)33-23-31-35(38-33)36-32(24-34(39-36)27-15-12-20-30(22-27)40(2,3)4)37(31,28-16-7-5-8-17-28)29-18-9-6-10-19-29;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;1-31(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;1-3-7-17(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;3-26H,1-2H3;5-24H,38-39H2,1-4H3;1-28H;3-22H,1-2H3;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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane?

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-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane has a molecular weight of 4237.12 g/mol, XLogP of 65.44, 41 rotatable bonds, 0 hydrogen bond donors, and 25 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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane is sourced from PubChem (CID 159489652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).