2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C278H215F9Ir5N19O4Pt4-5 — CID 159953926

IUPAC2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC.C.C.C.C#CC#CC#COc1cc2c(cc1OC#CC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C50H26NO2.C43H38N2.C37H18F2N4.C35H18F4N2.C35H22N2.C23H20N3O.C20H11F3N3O.C19H16N.C12H10N.4CH4.5Ir.4Pt.10H2/c1-5-7-9-15-26-52-48-32-42-40-28-34(3)35(4)29-45(40)50(46(42)33-49(48)53-27-16-10-8-6-2)43-21-12-11-20-39(43)41-31-37(23-24-44(41)50)36-18-17-19-38(30-36)47-22-13-14-25-51-47;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;1-14-9-10-15(2)18(12-14)16-6-5-7-17(13-16)19-8-3-4-11-20-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;;;;;;;;;;;;;;;;;;;;/h1-2,11-14,17-18,20-25,28-33H,3-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-16,19-20H;1-13,15,17-24H;4-6,8-15H,1-3H3;1-3,5-12H;3-6,8-13H,1-2H3;2-7,9H,1H3;4*1H4;;;;;;;;;;10*1H/q-1;4*-2;4*-1;;;;;;;;;;4*+2;;;;;;;;;;
InChIKeyIEFFLIMRDOAMSS-UHFFFAOYSA-N
MW5798.29 g/mol
LogP67.60
Rot. Bonds29

About 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 159953926) has the molecular formula C278H215F9Ir5N19O4Pt4-5 and a molecular weight of 5798.29 g/mol. Its IUPAC name is 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID159953926
Molecular FormulaC278H215F9Ir5N19O4Pt4-5
Molecular Weight5798.29 g/mol
Exact Mass5798.38
IUPAC Name2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC.C.C.C.C#CC#CC#COc1cc2c(cc1OC#CC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C50H26NO2.C43H38N2.C37H18F2N4.C35H18F4N2.C35H22N2.C23H20N3O.C20H11F3N3O.C19H16N.C12H10N.4CH4.5Ir.4Pt.10H2/c1-5-7-9-15-26-52-48-32-42-40-28-34(3)35(4)29-45(40)50(46(42)33-49(48)53-27-16-10-8-6-2)43-21-12-11-20-39(43)41-31-37(23-24-44(41)50)36-18-17-19-38(30-36)47-22-13-14-25-51-47;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;1-14-9-10-15(2)18(12-14)16-6-5-7-17(13-16)19-8-3-4-11-20-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;;;;;;;;;;;;;;;;;;;;/h1-2,11-14,17-18,20-25,28-33H,3-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-16,19-20H;1-13,15,17-24H;4-6,8-15H,1-3H3;1-3,5-12H;3-6,8-13H,1-2H3;2-7,9H,1H3;4*1H4;;;;;;;;;;10*1H/q-1;4*-2;4*-1;;;;;;;;;;4*+2;;;;;;;;;;
InChIKeyIEFFLIMRDOAMSS-UHFFFAOYSA-N
XLogP67.60
TPSA292.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005798.29
LogP ≤ 567.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 159953926) is 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is C.C.C.C.C#CC#CC#COc1cc2c(cc1OC#CC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is IEFFLIMRDOAMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26NO2.C43H38N2.C37H18F2N4.C35H18F4N2.C35H22N2.C23H20N3O.C20H11F3N3O.C19H16N.C12H10N.4CH4.5Ir.4Pt.10H2/c1-5-7-9-15-26-52-48-32-42-40-28-34(3)35(4)29-45(40)50(46(42)33-49(48)53-27-16-10-8-6-2)43-21-12-11-20-39(43)41-31-37(23-24-44(41)50)36-18-17-19-38(30-36)47-22-13-14-25-51-47;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;1-14-9-10-15(2)18(12-14)16-6-5-7-17(13-16)19-8-3-4-11-20-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;;;;;;;;;;;;;;;;;;;;/h1-2,11-14,17-18,20-25,28-33H,3-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-16,19-20H;1-13,15,17-24H;4-6,8-15H,1-3H3;1-3,5-12H;3-6,8-13H,1-2H3;2-7,9H,1H3;4*1H4;;;;;;;;;;10*1H/q-1;4*-2;4*-1;;;;;;;;;;4*+2;;;;;;;;;;.
What are the key properties of 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 5798.29 g/mol, XLogP of 67.60, 29 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2',3'-bis(hexa-1,3,5-triynoxy)-6',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;pentakis(iridium);methane;2-methyl-6-phenylpyridine;molecular hydrogen;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+));2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159953926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).