About 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine
9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine (PubChem CID 159604703) has the molecular formula C219H171BIr5N21O4PtS2
and a molecular weight of 4399.07 g/mol. Its IUPAC name is 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine.
Frequently Asked Questions
What is the IUPAC name of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?
The IUPAC name of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine (CID 159604703) is 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine.
What is the SMILES notation for 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?
The canonical SMILES for 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine is C.C1=CB2c3cccc[n+]3CN2C=C1.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(-c2[c-]cccc2)n1.[2H]c1[c-]c(-c2ncc([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1cc[n+]2c(c1)-c1c(ccc3c1sc1ccccc13)C2.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.
What is the InChIKey of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?
The InChIKey is WMQYBAIELHMRKT-JDEPUVIQSA-N. The full InChI is InChI=1S/C20H13N2.C20H15N2.C19H13N2.C18H12NS.C18H14N.C17H10NS.C16H11N2.C15H12N2.C11H9N2.4C11H8N.C10H10BN2.2C5H8O2.CH4.5Ir.Pt/c1-2-9-16-14(7-1)15-8-5-6-13-12-21-17-10-3-4-11-18(17)22(16)20(21)19(13)15;1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-14-15-8-4-5-11-17(15)20(21)22;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-2-7-16-13(5-1)14-9-8-12-11-19-10-4-3-6-15(19)17(12)18(14)20-16;1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-14-13(6-1)17-9-8-11-4-3-5-12-10-18(14)16(17)15(11)12;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-12-9-13-8-4-2-6-11(13)10(12)5-1;2*1-4(6)3-5(2)7;;;;;;;/h1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;1-12H,13H2;1-7,9-11H;1-9H,10H2;1-9,11-13H;2-5,7-8H,1H3;4*1-6,8-9H;1-8H,9H2;2*3,6H,1-2H3;1H4;;;;;;/q2*+1;-1;2*+1;-1;+1;-2;5*-1;+1;;;;;;;;+3;/i;;;;;;;;;1D,2D,3D,4D,5D,6D,8D;;;;;;;;;;;;;.
What are the key properties of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?
9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine has a molecular weight of 4399.07 g/mol, XLogP of 46.95, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniahexacyclo[17.2.1.02,7.08,21.09,14.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);methane;4-methyl-2-phenylpyrimidine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 159604703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).