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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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

C434H371BCu3Ir4N40O10P3Pt2S3-4 — CID 157402020

IUPAC9-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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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
SMILESC1=CB2c3cccc[n+]3CN2C=C1.CC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1cc[n+]2c(c1)-c1c(ccc3c1sc1ccccc13)C2.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C50H42N4O.C34H35N2.C30H24OP2.C23H20N4.C21H23N2.C20H13N2.C20H15N2.C19H13N2.C18H12NS.C17H14N2O.C17H10NO.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H11N4.C12H7N2S.C12H10N.C11H12N2.2C11H8N.C10H10BN2.C6H6.3C5H8O2.3Cu.4Ir.2Pt/c1-3-14-33(15-4-1)37-20-13-21-38(34-16-5-2-6-17-34)49(37)47-32-52-50-43-30-35(25-27-39(43)40-18-7-10-23-45(40)54(47)50)55-36-26-28-42-41-19-8-9-22-44(41)53(46(42)31-36)48-24-11-12-29-51-48;1-3-11-23(12-4-1)26-17-10-18-27(24-13-5-2-6-14-24)33(26)31-22-35-21-25-15-9-19-29-28-16-7-8-20-30(28)36(31)34(35)32(25)29;1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-24-14-8-3-5-10-16(14)26-18-12-7-13-19-20(18)21(22(24)26)23-25(2)15-9-4-6-11-17(15)27(19)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-2-9-16-14(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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;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;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;2*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;1-2-4-6-5-3-1;3*1-4(6)3-5(2)7;;;;;;;;;/h7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;1-23,32H;3-13,21-23H,1-2H3;5-9,11-16H,1-4H3;1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;2-9,15H,10H2,1H3;1-7,9-11H;4-11,13,19H,3,12H2,1-2H3;1-7,9-11H;1-9H,10H2;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-4,6-8H;1-8H,9H2;2-7,11H,8H2,1H3;2*1-6,8-9H;1-8H,9H2;1-6H;3*3,6H,1-2H3;;;;;;;;;/q-2;+1;;;-1;2*+1;-1;+1;;-1;-2;-1;+1;-3;2*-1;+1;;2*-1;+1;;;;;;;+1;;;;;;+2/p+1/b;;;;;;;;;;;;;;;;;;;;;;;4-3-;;;;;;;;;;;/i;;;;;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D;;;;;;;;;;;;;;;;;
InChIKeyGYTDSMXZRFRXEB-QLWVPTCCSA-O
MW7863.65 g/mol
LogP99.92
Rot. Bonds40

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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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

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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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 (PubChem CID 157402020) has the molecular formula C434H371BCu3Ir4N40O10P3Pt2S3-4 and a molecular weight of 7863.65 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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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.

Molecular Properties

Compound Name9-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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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
PubChem CID157402020
Molecular FormulaC434H371BCu3Ir4N40O10P3Pt2S3-4
Molecular Weight7863.65 g/mol
Exact Mass7859.44
IUPAC Name9-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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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
SMILESC1=CB2c3cccc[n+]3CN2C=C1.CC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1cc[n+]2c(c1)-c1c(ccc3c1sc1ccccc13)C2.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C50H42N4O.C34H35N2.C30H24OP2.C23H20N4.C21H23N2.C20H13N2.C20H15N2.C19H13N2.C18H12NS.C17H14N2O.C17H10NO.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H11N4.C12H7N2S.C12H10N.C11H12N2.2C11H8N.C10H10BN2.C6H6.3C5H8O2.3Cu.4Ir.2Pt/c1-3-14-33(15-4-1)37-20-13-21-38(34-16-5-2-6-17-34)49(37)47-32-52-50-43-30-35(25-27-39(43)40-18-7-10-23-45(40)54(47)50)55-36-26-28-42-41-19-8-9-22-44(41)53(46(42)31-36)48-24-11-12-29-51-48;1-3-11-23(12-4-1)26-17-10-18-27(24-13-5-2-6-14-24)33(26)31-22-35-21-25-15-9-19-29-28-16-7-8-20-30(28)36(31)34(35)32(25)29;1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-24-14-8-3-5-10-16(14)26-18-12-7-13-19-20(18)21(22(24)26)23-25(2)15-9-4-6-11-17(15)27(19)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-2-9-16-14(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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;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;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;2*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;1-2-4-6-5-3-1;3*1-4(6)3-5(2)7;;;;;;;;;/h7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;1-23,32H;3-13,21-23H,1-2H3;5-9,11-16H,1-4H3;1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;2-9,15H,10H2,1H3;1-7,9-11H;4-11,13,19H,3,12H2,1-2H3;1-7,9-11H;1-9H,10H2;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-4,6-8H;1-8H,9H2;2-7,11H,8H2,1H3;2*1-6,8-9H;1-8H,9H2;1-6H;3*3,6H,1-2H3;;;;;;;;;/q-2;+1;;;-1;2*+1;-1;+1;;-1;-2;-1;+1;-3;2*-1;+1;;2*-1;+1;;;;;;;+1;;;;;;+2/p+1/b;;;;;;;;;;;;;;;;;;;;;;;4-3-;;;;;;;;;;;/i;;;;;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D;;;;;;;;;;;;;;;;;
InChIKeyGYTDSMXZRFRXEB-QLWVPTCCSA-O
XLogP99.92
TPSA480.32 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms500
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007863.65
LogP ≤ 599.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze 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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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 with MolForge

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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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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?
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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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 (CID 157402020) 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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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.
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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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?
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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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 is C1=CB2c3cccc[n+]3CN2C=C1.CC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)n1c1ccccc21.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2c[n+]3c4c5c(cccc5c5ccccc5n24)C3)c(C2CCCCC2)c1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1cc[n+]2c(c1)-c1c(ccc3c1sc1ccccc13)C2.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1.
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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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?
The InChIKey is GYTDSMXZRFRXEB-QLWVPTCCSA-O. The full InChI is InChI=1S/C50H42N4O.C34H35N2.C30H24OP2.C23H20N4.C21H23N2.C20H13N2.C20H15N2.C19H13N2.C18H12NS.C17H14N2O.C17H10NO.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H11N4.C12H7N2S.C12H10N.C11H12N2.2C11H8N.C10H10BN2.C6H6.3C5H8O2.3Cu.4Ir.2Pt/c1-3-14-33(15-4-1)37-20-13-21-38(34-16-5-2-6-17-34)49(37)47-32-52-50-43-30-35(25-27-39(43)40-18-7-10-23-45(40)54(47)50)55-36-26-28-42-41-19-8-9-22-44(41)53(46(42)31-36)48-24-11-12-29-51-48;1-3-11-23(12-4-1)26-17-10-18-27(24-13-5-2-6-14-24)33(26)31-22-35-21-25-15-9-19-29-28-16-7-8-20-30(28)36(31)34(35)32(25)29;1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-24-14-8-3-5-10-16(14)26-18-12-7-13-19-20(18)21(22(24)26)23-25(2)15-9-4-6-11-17(15)27(19)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-2-9-16-14(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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;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;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;2*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;1-2-4-6-5-3-1;3*1-4(6)3-5(2)7;;;;;;;;;/h7-13,18-29,32-34H,1-6,14-17H2;7-10,15-20,22-24H,1-6,11-14,21H2;1-23,32H;3-13,21-23H,1-2H3;5-9,11-16H,1-4H3;1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;2-9,15H,10H2,1H3;1-7,9-11H;4-11,13,19H,3,12H2,1-2H3;1-7,9-11H;1-9H,10H2;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-4,6-8H;1-8H,9H2;2-7,11H,8H2,1H3;2*1-6,8-9H;1-8H,9H2;1-6H;3*3,6H,1-2H3;;;;;;;;;/q-2;+1;;;-1;2*+1;-1;+1;;-1;-2;-1;+1;-3;2*-1;+1;;2*-1;+1;;;;;;;+1;;;;;;+2/p+1/b;;;;;;;;;;;;;;;;;;;;;;;4-3-;;;;;;;;;;;/i;;;;;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D;;;;;;;;;;;;;;;;;.
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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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?
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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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 has a molecular weight of 7863.65 g/mol, XLogP of 99.92, 40 rotatable bonds, 4 hydrogen bond donors, and 42 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;benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;(Z)-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;bis(2-phenylpyridine);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+);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 is sourced from PubChem (CID 157402020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).