2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine

C300H216F3Ir6N20O9PPt4-6 — CID 160924061

IUPAC2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine
SMILESC.C.C.C.C#CC#CCOc1cc2c(cc1OCC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(OC#CC#CC)c(OC#CC#CC)cc1-2.C#CC#COc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1OC#CC#C.CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2cccc(-c3[c-]cccc3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.O=P(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Cc2[c-]c(-c3ccccn3)c3ccccc3c2)cc2ccccc2c1-c1ccccn1.[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C56H30NO4.C36H35N3.C35H22N2.C31H20N2.C28H19N2OP.C25H12NO2.C23H20N3O.C23H15N2.C20H11F3N3O.C19H16N.4CH4.6Ir.4Pt/c1-5-9-17-30-58-52-36-45-46-37-53(59-31-18-10-6-2)55(61-33-20-12-8-4)39-50(46)56(49(45)38-54(52)60-32-19-11-7-3)47-25-14-13-24-43(47)44-35-41(27-28-48(44)56)40-22-21-23-42(34-40)51-26-15-16-29-57-51;1-35(2,3)28-23-29(36(4,5)6)25-31(24-28)39(30-17-12-16-27(22-30)32-18-10-11-21-37-32)34-20-13-19-33(38-34)26-14-8-7-9-15-26;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;1-3-11-26-24(9-1)18-22(20-28(26)30-13-5-7-15-32-30)17-23-19-25-10-2-4-12-27(25)29(21-23)31-14-6-8-16-33-31;31-32(24-12-2-1-3-13-24,25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-3-5-16-27-24-14-13-21(19-25(24)28-17-6-4-2)20-10-9-11-22(18-20)23-12-7-8-15-26-23;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;1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;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;;;;;;;;;;;;;;/h1,3,13-16,21-22,24-29,34-39H,30,32H2,2,4H3;7-14,16-21,23-25H,1-6H3;1-13,15,17-24H;1-16,18-19H,17H2;1-19H;1-2,7-10,12-15,18-19H;4-6,8-15H,1-3H3;1-7,9-16H;1-3,5-12H;3-6,8-13H,1-2H3;4*1H4;;;;;;;;;;/q-1;4*-2;5*-1;;;;;;;;;;;4*+2
InChIKeyJXUHQJHPLVJACZ-UHFFFAOYSA-N
MW6266.74 g/mol
LogP66.93
Rot. Bonds40

About 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine

2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine (PubChem CID 160924061) has the molecular formula C300H216F3Ir6N20O9PPt4-6 and a molecular weight of 6266.74 g/mol. Its IUPAC name is 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine
PubChem CID160924061
Molecular FormulaC300H216F3Ir6N20O9PPt4-6
Molecular Weight6266.74 g/mol
Exact Mass6267.31
IUPAC Name2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine
SMILESC.C.C.C.C#CC#CCOc1cc2c(cc1OCC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(OC#CC#CC)c(OC#CC#CC)cc1-2.C#CC#COc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1OC#CC#C.CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2cccc(-c3[c-]cccc3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.O=P(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Cc2[c-]c(-c3ccccn3)c3ccccc3c2)cc2ccccc2c1-c1ccccn1.[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C56H30NO4.C36H35N3.C35H22N2.C31H20N2.C28H19N2OP.C25H12NO2.C23H20N3O.C23H15N2.C20H11F3N3O.C19H16N.4CH4.6Ir.4Pt/c1-5-9-17-30-58-52-36-45-46-37-53(59-31-18-10-6-2)55(61-33-20-12-8-4)39-50(46)56(49(45)38-54(52)60-32-19-11-7-3)47-25-14-13-24-43(47)44-35-41(27-28-48(44)56)40-22-21-23-42(34-40)51-26-15-16-29-57-51;1-35(2,3)28-23-29(36(4,5)6)25-31(24-28)39(30-17-12-16-27(22-30)32-18-10-11-21-37-32)34-20-13-19-33(38-34)26-14-8-7-9-15-26;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;1-3-11-26-24(9-1)18-22(20-28(26)30-13-5-7-15-32-30)17-23-19-25-10-2-4-12-27(25)29(21-23)31-14-6-8-16-33-31;31-32(24-12-2-1-3-13-24,25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-3-5-16-27-24-14-13-21(19-25(24)28-17-6-4-2)20-10-9-11-22(18-20)23-12-7-8-15-26-23;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;1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;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;;;;;;;;;;;;;;/h1,3,13-16,21-22,24-29,34-39H,30,32H2,2,4H3;7-14,16-21,23-25H,1-6H3;1-13,15,17-24H;1-16,18-19H,17H2;1-19H;1-2,7-10,12-15,18-19H;4-6,8-15H,1-3H3;1-7,9-16H;1-3,5-12H;3-6,8-13H,1-2H3;4*1H4;;;;;;;;;;/q-1;4*-2;5*-1;;;;;;;;;;;4*+2
InChIKeyJXUHQJHPLVJACZ-UHFFFAOYSA-N
XLogP66.93
TPSA338.92 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms343
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006266.74
LogP ≤ 566.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine?
The IUPAC name of 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine (CID 160924061) is 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine.
What is the SMILES notation for 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine?
The canonical SMILES for 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine is C.C.C.C.C#CC#CCOc1cc2c(cc1OCC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(OC#CC#CC)c(OC#CC#CC)cc1-2.C#CC#COc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1OC#CC#C.CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2cccc(-c3[c-]cccc3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.O=P(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Cc2[c-]c(-c3ccccn3)c3ccccc3c2)cc2ccccc2c1-c1ccccn1.[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine?
The InChIKey is JXUHQJHPLVJACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30NO4.C36H35N3.C35H22N2.C31H20N2.C28H19N2OP.C25H12NO2.C23H20N3O.C23H15N2.C20H11F3N3O.C19H16N.4CH4.6Ir.4Pt/c1-5-9-17-30-58-52-36-45-46-37-53(59-31-18-10-6-2)55(61-33-20-12-8-4)39-50(46)56(49(45)38-54(52)60-32-19-11-7-3)47-25-14-13-24-43(47)44-35-41(27-28-48(44)56)40-22-21-23-42(34-40)51-26-15-16-29-57-51;1-35(2,3)28-23-29(36(4,5)6)25-31(24-28)39(30-17-12-16-27(22-30)32-18-10-11-21-37-32)34-20-13-19-33(38-34)26-14-8-7-9-15-26;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;1-3-11-26-24(9-1)18-22(20-28(26)30-13-5-7-15-32-30)17-23-19-25-10-2-4-12-27(25)29(21-23)31-14-6-8-16-33-31;31-32(24-12-2-1-3-13-24,25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-3-5-16-27-24-14-13-21(19-25(24)28-17-6-4-2)20-10-9-11-22(18-20)23-12-7-8-15-26-23;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;1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;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;;;;;;;;;;;;;;/h1,3,13-16,21-22,24-29,34-39H,30,32H2,2,4H3;7-14,16-21,23-25H,1-6H3;1-13,15,17-24H;1-16,18-19H,17H2;1-19H;1-2,7-10,12-15,18-19H;4-6,8-15H,1-3H3;1-7,9-16H;1-3,5-12H;3-6,8-13H,1-2H3;4*1H4;;;;;;;;;;/q-1;4*-2;5*-1;;;;;;;;;;;4*+2.
What are the key properties of 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine?
2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine has a molecular weight of 6266.74 g/mol, XLogP of 66.93, 40 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,4-bis(buta-1,3-diynoxy)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-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;N-(3,5-ditert-butylphenyl)-6-phenyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);methane;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;2-[3-[phenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]benzene-2-id-1-yl]pyridine;tetrakis(platinum(2+));9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[3-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)methyl]-2H-naphthalen-2-id-1-yl]pyridine is sourced from PubChem (CID 160924061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).