CID 161338372

C281H183N31O9Pt9S2 — CID 161338372

IUPAC—
SMILESCc1cc(C)n(-c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1c(-c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2ccccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2OCc2ccccc21
InChIInChI=1S/C33H22N4O.2C33H21N3O.C32H22N4O.C32H19N3S.C31H19N3O2.C31H19N3OS.C29H22N4O.C27H18N4O.9Pt/c1-2-9-24(10-3-1)27-21-35-36(22-27)28-16-17-33-32(20-28)37(31-15-5-4-11-26(31)23-38-33)29-13-8-12-25(19-29)30-14-6-7-18-34-30;1-3-12-28-23(8-1)17-19-35-33(28)25-15-16-32-31(21-25)36(30-14-4-2-9-26(30)22-37-32)27-11-7-10-24(20-27)29-13-5-6-18-34-29;1-2-9-26-21-35-30(19-23(26)8-1)25-15-16-33-32(20-25)36(31-14-4-3-10-27(31)22-37-33)28-12-7-11-24(18-28)29-13-5-6-17-34-29;1-35-29-15-5-3-13-27(29)34-32(35)23-16-17-31-30(20-23)36(28-14-4-2-9-24(28)21-37-31)25-11-8-10-22(19-25)26-12-6-7-18-33-26;1-2-11-26-25(10-1)27-12-3-4-14-30(27)35(24-9-7-8-22(20-24)29-13-5-6-17-33-29)31-21-23(15-16-28(26)31)32-34-18-19-36-32;1-3-13-27-23(8-1)20-35-30-16-15-22(31-33-26-12-2-4-14-29(26)36-31)19-28(30)34(27)24-10-7-9-21(18-24)25-11-5-6-17-32-25;1-3-13-27-23(8-1)20-35-29-16-15-22(31-33-26-12-2-4-14-30(26)36-31)19-28(29)34(27)24-10-7-9-21(18-24)25-11-5-6-17-32-25;1-20-16-21(2)33(31-20)25-13-14-29-28(18-25)32(27-12-4-3-8-23(27)19-34-29)24-10-7-9-22(17-24)26-11-5-6-15-30-26;1-2-11-25-21(7-1)19-32-27-13-12-22(30-16-6-15-29-30)18-26(27)31(25)23-9-5-8-20(17-23)24-10-3-4-14-28-24;;;;;;;;;/h1-18,21-22H,23H2;1-19H,22H2;1-17,19,21H,22H2;2-18H,21H2,1H3;1-19H;2*1-17H,20H2;3-16H,19H2,1-2H3;1-16H,19H2;;;;;;;;;/q9*-2;9*+2
InChIKeyVSYZINTZAMUGTQ-UHFFFAOYSA-N
MW5957.60 g/mol
LogP67.17
Rot. Bonds28

About CID 161338372

CID 161338372 (PubChem CID 161338372) has the molecular formula C281H183N31O9Pt9S2 and a molecular weight of 5957.60 g/mol.

Molecular Properties

Compound NameCID 161338372
PubChem CID161338372
Molecular FormulaC281H183N31O9Pt9S2
Molecular Weight5957.60 g/mol
Exact Mass5953.11
IUPAC Name—
SMILESCc1cc(C)n(-c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1c(-c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2ccccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2OCc2ccccc21
InChIInChI=1S/C33H22N4O.2C33H21N3O.C32H22N4O.C32H19N3S.C31H19N3O2.C31H19N3OS.C29H22N4O.C27H18N4O.9Pt/c1-2-9-24(10-3-1)27-21-35-36(22-27)28-16-17-33-32(20-28)37(31-15-5-4-11-26(31)23-38-33)29-13-8-12-25(19-29)30-14-6-7-18-34-30;1-3-12-28-23(8-1)17-19-35-33(28)25-15-16-32-31(21-25)36(30-14-4-2-9-26(30)22-37-32)27-11-7-10-24(20-27)29-13-5-6-18-34-29;1-2-9-26-21-35-30(19-23(26)8-1)25-15-16-33-32(20-25)36(31-14-4-3-10-27(31)22-37-33)28-12-7-11-24(18-28)29-13-5-6-17-34-29;1-35-29-15-5-3-13-27(29)34-32(35)23-16-17-31-30(20-23)36(28-14-4-2-9-24(28)21-37-31)25-11-8-10-22(19-25)26-12-6-7-18-33-26;1-2-11-26-25(10-1)27-12-3-4-14-30(27)35(24-9-7-8-22(20-24)29-13-5-6-17-33-29)31-21-23(15-16-28(26)31)32-34-18-19-36-32;1-3-13-27-23(8-1)20-35-30-16-15-22(31-33-26-12-2-4-14-29(26)36-31)19-28(30)34(27)24-10-7-9-21(18-24)25-11-5-6-17-32-25;1-3-13-27-23(8-1)20-35-29-16-15-22(31-33-26-12-2-4-14-30(26)36-31)19-28(29)34(27)24-10-7-9-21(18-24)25-11-5-6-17-32-25;1-20-16-21(2)33(31-20)25-13-14-29-28(18-25)32(27-12-4-3-8-23(27)19-34-29)24-10-7-9-22(17-24)26-11-5-6-15-30-26;1-2-11-25-21(7-1)19-32-27-13-12-22(30-16-6-15-29-30)18-26(27)31(25)23-9-5-8-20(17-23)24-10-3-4-14-28-24;;;;;;;;;/h1-18,21-22H,23H2;1-19H,22H2;1-17,19,21H,22H2;2-18H,21H2,1H3;1-19H;2*1-17H,20H2;3-16H,19H2,1-2H3;1-16H,19H2;;;;;;;;;/q9*-2;9*+2
InChIKeyVSYZINTZAMUGTQ-UHFFFAOYSA-N
XLogP67.17
TPSA367.88 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005957.60
LogP ≤ 567.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
benzene-1,2-dicarbonitrile;benzenesulfinate;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;1,1-difluoroethane;bis(1,1-difluoroethylbenzene);1-(1,1-difluoroethyl)-2,3-bis(trifluoromethyl)benzene;3H-indazole;indene-1,3-dione;naphthalene;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyridazine;pyridine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrimidine;quinazoline;quinoline;styrene;sulfur dioxide;1,3,5-triazine;1,2,3-trifluorobenzene
CID 157944307
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
CID 158004282
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930

Frequently Asked Questions

What is the IUPAC name of CID 161338372?
The IUPAC name of CID 161338372 (CID 161338372) is not available.
What is the SMILES notation for CID 161338372?
The canonical SMILES for CID 161338372 is Cc1cc(C)n(-c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1c(-c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2ccccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2OCc2ccccc21.
What is the InChIKey of CID 161338372?
The InChIKey is VSYZINTZAMUGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O.2C33H21N3O.C32H22N4O.C32H19N3S.C31H19N3O2.C31H19N3OS.C29H22N4O.C27H18N4O.9Pt/c1-2-9-24(10-3-1)27-21-35-36(22-27)28-16-17-33-32(20-28)37(31-15-5-4-11-26(31)23-38-33)29-13-8-12-25(19-29)30-14-6-7-18-34-30;1-3-12-28-23(8-1)17-19-35-33(28)25-15-16-32-31(21-25)36(30-14-4-2-9-26(30)22-37-32)27-11-7-10-24(20-27)29-13-5-6-18-34-29;1-2-9-26-21-35-30(19-23(26)8-1)25-15-16-33-32(20-25)36(31-14-4-3-10-27(31)22-37-33)28-12-7-11-24(18-28)29-13-5-6-17-34-29;1-35-29-15-5-3-13-27(29)34-32(35)23-16-17-31-30(20-23)36(28-14-4-2-9-24(28)21-37-31)25-11-8-10-22(19-25)26-12-6-7-18-33-26;1-2-11-26-25(10-1)27-12-3-4-14-30(27)35(24-9-7-8-22(20-24)29-13-5-6-17-33-29)31-21-23(15-16-28(26)31)32-34-18-19-36-32;1-3-13-27-23(8-1)20-35-30-16-15-22(31-33-26-12-2-4-14-29(26)36-31)19-28(30)34(27)24-10-7-9-21(18-24)25-11-5-6-17-32-25;1-3-13-27-23(8-1)20-35-29-16-15-22(31-33-26-12-2-4-14-30(26)36-31)19-28(29)34(27)24-10-7-9-21(18-24)25-11-5-6-17-32-25;1-20-16-21(2)33(31-20)25-13-14-29-28(18-25)32(27-12-4-3-8-23(27)19-34-29)24-10-7-9-22(17-24)26-11-5-6-15-30-26;1-2-11-25-21(7-1)19-32-27-13-12-22(30-16-6-15-29-30)18-26(27)31(25)23-9-5-8-20(17-23)24-10-3-4-14-28-24;;;;;;;;;/h1-18,21-22H,23H2;1-19H,22H2;1-17,19,21H,22H2;2-18H,21H2,1H3;1-19H;2*1-17H,20H2;3-16H,19H2,1-2H3;1-16H,19H2;;;;;;;;;/q9*-2;9*+2.
What are the key properties of CID 161338372?
CID 161338372 has a molecular weight of 5957.60 g/mol, XLogP of 67.17, 28 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161338372 is sourced from PubChem (CID 161338372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).