CID 157489434

C354H308BCu3Ir4N34O9P3PtS2-3 — CID 157489434

IUPAC—
SMILESCC(=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.[B]1/C=C\C=C/NC[n+]2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2c(oc3ccccc32)c1-[n+]1[c-]cccc1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2cc3n4c5c(cccc5c5ccccc5[n+]24)C3)c(C2CCCCC2)c1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C34H35N2.C30H24OP2.C23H20N4.C21H23N2.C20H13N2.C20H15N2.C19H13N2.C17H14N2O.C17H10NO.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H11N4.C12H7N2S.C11H12N2.2C11H8N.C10H11BN2.C6H6.3C5H8O2.3Cu.4Ir.Pt/c1-3-11-23(12-4-1)27-17-10-18-28(24-13-5-2-6-14-24)33(27)32-22-26-21-25-15-9-19-30-29-16-7-8-20-31(29)36(32)35(26)34(25)30;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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-4-11-18(12-5-1)15-9-6-8-14-13-7-2-3-10-16(13)19-17(14)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;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4-8-13-9-12-7-3-2-6-11-10(13)5-1;1-2-4-6-5-3-1;3*1-4(6)3-5(2)7;;;;;;;;/h7-10,15-20,22-24H,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;2-9,15H,10H2,1H3;1-8,10-11H;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;2-7,11H,8H2,1H3;2*1-6,8-9H;1-8,12H,9H2;1-6H;3*3,6H,1-2H3;;;;;;;;/q+1;;;-1;2*+1;-1;;-1;-2;-1;+1;-3;2*-1;;2*-1;+1;;;;;;;+1;;;;+3;/p+1/b;;;;;;;;;;;;;;;;;;6-2-,7-3-;;4-3-;;;;;;;;;;
InChIKeyCAUHQHHQERHNSP-XLMWEKKOSA-O
MW6505.04 g/mol
LogP78.94
Rot. Bonds34

About CID 157489434

CID 157489434 (PubChem CID 157489434) has the molecular formula C354H308BCu3Ir4N34O9P3PtS2-3 and a molecular weight of 6505.04 g/mol.

Molecular Properties

Compound NameCID 157489434
PubChem CID157489434
Molecular FormulaC354H308BCu3Ir4N34O9P3PtS2-3
Molecular Weight6505.04 g/mol
Exact Mass6501.95
IUPAC Name—
SMILESCC(=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.[B]1/C=C\C=C/NC[n+]2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2c(oc3ccccc32)c1-[n+]1[c-]cccc1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2cc3n4c5c(cccc5c5ccccc5[n+]24)C3)c(C2CCCCC2)c1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C34H35N2.C30H24OP2.C23H20N4.C21H23N2.C20H13N2.C20H15N2.C19H13N2.C17H14N2O.C17H10NO.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H11N4.C12H7N2S.C11H12N2.2C11H8N.C10H11BN2.C6H6.3C5H8O2.3Cu.4Ir.Pt/c1-3-11-23(12-4-1)27-17-10-18-28(24-13-5-2-6-14-24)33(27)32-22-26-21-25-15-9-19-30-29-16-7-8-20-31(29)36(32)35(26)34(25)30;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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-4-11-18(12-5-1)15-9-6-8-14-13-7-2-3-10-16(13)19-17(14)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;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4-8-13-9-12-7-3-2-6-11-10(13)5-1;1-2-4-6-5-3-1;3*1-4(6)3-5(2)7;;;;;;;;/h7-10,15-20,22-24H,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;2-9,15H,10H2,1H3;1-8,10-11H;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;2-7,11H,8H2,1H3;2*1-6,8-9H;1-8,12H,9H2;1-6H;3*3,6H,1-2H3;;;;;;;;/q+1;;;-1;2*+1;-1;;-1;-2;-1;+1;-3;2*-1;;2*-1;+1;;;;;;;+1;;;;+3;/p+1/b;;;;;;;;;;;;;;;;;;6-2-,7-3-;;4-3-;;;;;;;;;;
InChIKeyCAUHQHHQERHNSP-XLMWEKKOSA-O
XLogP78.94
TPSA428.21 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms411
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006505.04
LogP ≤ 578.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

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Related Compounds

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
CID 158894658
CID 158894658
benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);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;(Z)-4-hydroxypent-3-en-2-one;(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;2-phenylpyridine;platinum
CID 161036463
bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(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;4-phenylthieno[2,3-d]pyrimidine
CID 161002996
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;carbanide;copper;copper(1+);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;3,23-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;(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
CID 159810136
CID 161343451
CID 161343451
2-(3H-dibenzofuran-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);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;4-phenylthieno[2,3-d]pyrimidine
CID 160523066
copper;9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;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;copper;copper(1+);3,23-dimethyl-3,10,23-triazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11,13,15(25),17,19,21-nonaene;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(2-ethylphenyl)-(2-methanidylphenyl)azanide;(Z)-4-hydroxypent-3-en-2-one;methane;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;platinum
CID 161108803
9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;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;bis(2-methanidylphenyl)azanide;copper;copper(1+);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;[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;methane;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(4-phenyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum
CID 158350833
9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;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;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum
CID 162168922
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;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;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;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;2-phenylpyridine;4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
CID 159806060
CID 159313673
CID 159313673

Frequently Asked Questions

What is the IUPAC name of CID 157489434?
The IUPAC name of CID 157489434 (CID 157489434) is not available.
What is the SMILES notation for CID 157489434?
The canonical SMILES for CID 157489434 is 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.[B]1/C=C\C=C/NC[n+]2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2c(oc3ccccc32)c1-[n+]1[c-]cccc1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1ncnc2sccc12.c1cc(C2CCCCC2)c(-c2cc3n4c5c(cccc5c5ccccc5[n+]24)C3)c(C2CCCCC2)c1.c1cc2c3c(c1)c1ccccc1n1c4ccccc4[n+](c31)C2.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of CID 157489434?
The InChIKey is CAUHQHHQERHNSP-XLMWEKKOSA-O. The full InChI is InChI=1S/C34H35N2.C30H24OP2.C23H20N4.C21H23N2.C20H13N2.C20H15N2.C19H13N2.C17H14N2O.C17H10NO.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H11N4.C12H7N2S.C11H12N2.2C11H8N.C10H11BN2.C6H6.3C5H8O2.3Cu.4Ir.Pt/c1-3-11-23(12-4-1)27-17-10-18-28(24-13-5-2-6-14-24)33(27)32-22-26-21-25-15-9-19-30-29-16-7-8-20-31(29)36(32)35(26)34(25)30;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;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-4-11-18(12-5-1)15-9-6-8-14-13-7-2-3-10-16(13)19-17(14)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;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4-8-13-9-12-7-3-2-6-11-10(13)5-1;1-2-4-6-5-3-1;3*1-4(6)3-5(2)7;;;;;;;;/h7-10,15-20,22-24H,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;2-9,15H,10H2,1H3;1-8,10-11H;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;2-7,11H,8H2,1H3;2*1-6,8-9H;1-8,12H,9H2;1-6H;3*3,6H,1-2H3;;;;;;;;/q+1;;;-1;2*+1;-1;;-1;-2;-1;+1;-3;2*-1;;2*-1;+1;;;;;;;+1;;;;+3;/p+1/b;;;;;;;;;;;;;;;;;;6-2-,7-3-;;4-3-;;;;;;;;;;.
What are the key properties of CID 157489434?
CID 157489434 has a molecular weight of 6505.04 g/mol, XLogP of 78.94, 34 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157489434 is sourced from PubChem (CID 157489434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).