CID 158894658

C297H243BCu3Ir2N28O5P3PtS2+ — CID 158894658

IUPAC—
SMILESCC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[B]1/C=C\C=C/NC[n+]2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[Ir].[Ir].[Pt].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.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(-c2n[n-]c(-c3ccccn3)n2)cc1.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28OP2.C23H20N4.C20H13N2.C20H15N2.C19H13N2.C18H12NS.C18H14N.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H9N4.C12H11N2.C12H10N.2C11H8N.C10H11BN2.2C5H8O2.3Cu.2Ir.Pt/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;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;1-2-9-16-14(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;1-13(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;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)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;2*1-4(6)3-5(2)7;;;;;;/h1-28H;3-13,21-23H,1-2H3;1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;1-12H,13H2;4-11,13,19H,3,12H2,1-2H3;1-7,9-11H;1-9H,10H2;3-10H,1-2H2;1-9H;2-7H,8H2,1H3;1-8H,9H2;2*1-6,8-9H;1-8,12H,9H2;2*3,6H,1-2H3;;;;;;/q;;2*+1;-1;2*+1;-2;-1;+1;-3;-1;2*+1;2*-1;+1;;;;;+1;;;/p+2/b;;;;;;;;;;;;;;;;6-2-,7-3-;4-3-;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D;;;;;;;;;;;
InChIKeyBIDHYUWWSPRONH-NYWZXQQHSA-P
MW5229.46 g/mol
LogP61.90
Rot. Bonds26

About CID 158894658

CID 158894658 (PubChem CID 158894658) has the molecular formula C297H243BCu3Ir2N28O5P3PtS2+ and a molecular weight of 5229.46 g/mol.

Molecular Properties

Compound NameCID 158894658
PubChem CID158894658
Molecular FormulaC297H243BCu3Ir2N28O5P3PtS2+
Molecular Weight5229.46 g/mol
Exact Mass5225.56
IUPAC Name—
SMILESCC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[B]1/C=C\C=C/NC[n+]2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[Ir].[Ir].[Pt].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.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(-c2n[n-]c(-c3ccccn3)n2)cc1.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28OP2.C23H20N4.C20H13N2.C20H15N2.C19H13N2.C18H12NS.C18H14N.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H9N4.C12H11N2.C12H10N.2C11H8N.C10H11BN2.2C5H8O2.3Cu.2Ir.Pt/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;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;1-2-9-16-14(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;1-13(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;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)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;2*1-4(6)3-5(2)7;;;;;;/h1-28H;3-13,21-23H,1-2H3;1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;1-12H,13H2;4-11,13,19H,3,12H2,1-2H3;1-7,9-11H;1-9H,10H2;3-10H,1-2H2;1-9H;2-7H,8H2,1H3;1-8H,9H2;2*1-6,8-9H;1-8,12H,9H2;2*3,6H,1-2H3;;;;;;/q;;2*+1;-1;2*+1;-2;-1;+1;-3;-1;2*+1;2*-1;+1;;;;;+1;;;/p+2/b;;;;;;;;;;;;;;;;6-2-,7-3-;4-3-;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D;;;;;;;;;;;
InChIKeyBIDHYUWWSPRONH-NYWZXQQHSA-P
XLogP61.90
TPSA303.96 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005229.46
LogP ≤ 561.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

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Related Compounds

CID 161343451
CID 161343451
CID 157489434
CID 157489434
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;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;tetrakis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide;pentakis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;platinum;(3Z)-7H-pyrido[1,2-c][1,3,5]diazaboronin-8-ium;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 162141166
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
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;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;4-hydroxypent-3-en-2-one;bis(iridium);5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;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 161479203
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
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-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
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
CID 159313673
CID 159313673
2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;2-phenyl-1-phenyl-2H-benzimidazol-3-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide;2-phenylpyridine;9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;2-pyridin-2-ylpyridine;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 163691799
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;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;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;osmium;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;platinum
CID 161290428

Frequently Asked Questions

What is the IUPAC name of CID 158894658?
The IUPAC name of CID 158894658 (CID 158894658) is not available.
What is the SMILES notation for CID 158894658?
The canonical SMILES for CID 158894658 is CC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[B]1/C=C\C=C/NC[n+]2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[Ir].[Ir].[Pt].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.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(-c2n[n-]c(-c3ccccn3)n2)cc1.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 158894658?
The InChIKey is BIDHYUWWSPRONH-NYWZXQQHSA-P. The full InChI is InChI=1S/C36H28OP2.C23H20N4.C20H13N2.C20H15N2.C19H13N2.C18H12NS.C18H14N.C17H20NP.C17H10NS.C16H11N2.C14H12N.C13H9N4.C12H11N2.C12H10N.2C11H8N.C10H11BN2.2C5H8O2.3Cu.2Ir.Pt/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;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;1-2-9-16-14(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;1-13(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;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)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;2*1-4(6)3-5(2)7;;;;;;/h1-28H;3-13,21-23H,1-2H3;1-11H,12H2;1-13H,14H2;1-9,11-14H;1-10H,11H2;1-12H,13H2;4-11,13,19H,3,12H2,1-2H3;1-7,9-11H;1-9H,10H2;3-10H,1-2H2;1-9H;2-7H,8H2,1H3;1-8H,9H2;2*1-6,8-9H;1-8,12H,9H2;2*3,6H,1-2H3;;;;;;/q;;2*+1;-1;2*+1;-2;-1;+1;-3;-1;2*+1;2*-1;+1;;;;;+1;;;/p+2/b;;;;;;;;;;;;;;;;6-2-,7-3-;4-3-;;;;;;;/i;;;;;;;;;;;;;1D,2D,3D,4D,5D,6D,7D;;;;;;;;;;;.
What are the key properties of CID 158894658?
CID 158894658 has a molecular weight of 5229.46 g/mol, XLogP of 61.90, 26 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158894658 is sourced from PubChem (CID 158894658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).