3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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

C314H246F12N22O8P2Si5 — CID 159665529

IUPAC3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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
SMILESC=C/C=C(\C=C)c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)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(c2cccc(-c3ccccc3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.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(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C61H35F9N8O4.C57H39F3N6O2.C39H31N3Si.C37H36Si3.C36H28OP2.C30H29N3.C30H26Si.C24H22N2O/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;1-56(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;1-43(2)38(34-25-14-23-31(41-34)28-16-6-3-7-17-28)36(29-18-8-4-9-19-29)37(30-20-10-5-11-21-30)39(43)35-26-15-24-33(42-35)32-22-12-13-27-40-32;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;1-6-11-22(7-2)23-14-16-24(17-15-23)28-31-32-29(33(28)27-12-9-8-10-13-27)25-18-20-26(21-19-25)30(3,4)5;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/h2-33H,1H3;2-37H,1H3;3-27H,1-2H3;5-24H,38-39H2,1-4H3;1-28H;6-21H,1-2H2,3-5H3;3-22H,1-2H3;4-16H,1-3H3/b;;;;;22-11+;;
InChIKeyMTIWPXIWITZKFI-JQBIAMJVSA-N
MW4885.92 g/mol
LogP76.16
Rot. Bonds56

About 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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

3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 159665529) has the molecular formula C314H246F12N22O8P2Si5 and a molecular weight of 4885.92 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 Name3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 CID159665529
Molecular FormulaC314H246F12N22O8P2Si5
Molecular Weight4885.92 g/mol
Exact Mass4881.76
IUPAC Name3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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
SMILESC=C/C=C(\C=C)c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)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(c2cccc(-c3ccccc3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.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(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C61H35F9N8O4.C57H39F3N6O2.C39H31N3Si.C37H36Si3.C36H28OP2.C30H29N3.C30H26Si.C24H22N2O/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;1-56(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;1-43(2)38(34-25-14-23-31(41-34)28-16-6-3-7-17-28)36(29-18-8-4-9-19-29)37(30-20-10-5-11-21-30)39(43)35-26-15-24-33(42-35)32-22-12-13-27-40-32;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;1-6-11-22(7-2)23-14-16-24(17-15-23)28-31-32-29(33(28)27-12-9-8-10-13-27)25-18-20-26(21-19-25)30(3,4)5;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/h2-33H,1H3;2-37H,1H3;3-27H,1-2H3;5-24H,38-39H2,1-4H3;1-28H;6-21H,1-2H2,3-5H3;3-22H,1-2H3;4-16H,1-3H3/b;;;;;22-11+;;
InChIKeyMTIWPXIWITZKFI-JQBIAMJVSA-N
XLogP76.16
TPSA369.01 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds56
Heavy Atoms363
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004885.92
LogP ≤ 576.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 159665529) is 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 C=C/C=C(\C=C)c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)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(c2cccc(-c3ccccc3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.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(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 MTIWPXIWITZKFI-JQBIAMJVSA-N. The full InChI is InChI=1S/C61H35F9N8O4.C57H39F3N6O2.C39H31N3Si.C37H36Si3.C36H28OP2.C30H29N3.C30H26Si.C24H22N2O/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;1-56(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;1-43(2)38(34-25-14-23-31(41-34)28-16-6-3-7-17-28)36(29-18-8-4-9-19-29)37(30-20-10-5-11-21-30)39(43)35-26-15-24-33(42-35)32-22-12-13-27-40-32;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;1-6-11-22(7-2)23-14-16-24(17-15-23)28-31-32-29(33(28)27-12-9-8-10-13-27)25-18-20-26(21-19-25)30(3,4)5;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/h2-33H,1H3;2-37H,1H3;3-27H,1-2H3;5-24H,38-39H2,1-4H3;1-28H;6-21H,1-2H2,3-5H3;3-22H,1-2H3;4-16H,1-3H3/b;;;;;22-11+;;.
What are the key properties of 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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?
3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 4885.92 g/mol, XLogP of 76.16, 56 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-phenyl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;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-(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 159665529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).