1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten

C212H167F12N22O6S2W11-11 — CID 160985309

IUPAC1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten
SMILESC#Cc1c[c-]cc(C#N)c1.CC(=O)c1ccc(C(C)=O)cc1.Cc1[c-]nc2c(ccc3cccnc32)c1.Cc1cc(-c2ccccc2)c[c-]n1.Cc1cc2c[c-]ccc2s1.Cc1ccc(-c2ccccc2)cn1.Cc1ccc(C(=O)C(F)(F)F)cc1.Cc1ccc2nc(C)cnc2c1.Cc1cccc(C(=O)C(F)(F)F)c1.Cc1ccnc2c1c(C)cc1cccnc12.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc(-c2ccccc2)cn1.Cc1cncc(-c2ccccc2)n1.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cc1ncc2c[c-]ccc2n1.Cn1c2ccccc2c(=O)c2ccccc21.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[c-]1cc(-c2ccccc2)c[c-]n1.[c-]1ccc(-c2ccccc2)nc1
InChIInChI=1S/2C14H12N2.C14H11NO.C13H9N2.C12H10N.C12H11N.2C11H10N2.C11H8N.C11H7N.C10H10N2.C10H10O2.2C9H7F3O.C9H7N2.C9H4N.C9H7S.C8H3F6.C8H6NO.C8H6NS.11W/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-9-5-7-16-14-12(9)10(2)8-11-4-3-6-15-13(11)14;1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-9-7-13-11(8-12-9)10-5-3-2-4-6-10;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7(11)9-3-5-10(6-4-9)8(2)12;1-6-2-4-7(5-3-6)8(13)9(10,11)12;1-6-3-2-4-7(5-6)8(13)9(10,11)12;1-7-10-6-8-4-2-3-5-9(8)11-7;1-2-8-4-3-5-9(6-8)7-10;1-7-6-8-4-2-3-5-9(8)10-7;9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;2*1-6-9-7-4-2-3-5-8(7)10-6;;;;;;;;;;;/h2*3-8H,1-2H3;2-9H,1H3;2-7H,1H3;2-7,9H,1H3;2-9H,1H3;2*2-8H,1H3;1-4,6-9H;1-7H;2*3-6H,1-2H3;2*2-5H,1H3;3-6H,1H3;1,4-6H;3-6H,1H3;2-4H;2*2,4-5H,1H3;;;;;;;;;;;/q;;;2*-1;;;;-1;-2;;;;;6*-1;;;;;;;;;;;
InChIKeyVEQLOPADCUOHQX-UHFFFAOYSA-N
MW5433.17 g/mol
LogP51.84
Rot. Bonds10

About 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten

1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten (PubChem CID 160985309) has the molecular formula C212H167F12N22O6S2W11-11 and a molecular weight of 5433.17 g/mol. Its IUPAC name is 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten.

Molecular Properties

Compound Name1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten
PubChem CID160985309
Molecular FormulaC212H167F12N22O6S2W11-11
Molecular Weight5433.17 g/mol
Exact Mass5431.74
IUPAC Name1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten
SMILESC#Cc1c[c-]cc(C#N)c1.CC(=O)c1ccc(C(C)=O)cc1.Cc1[c-]nc2c(ccc3cccnc32)c1.Cc1cc(-c2ccccc2)c[c-]n1.Cc1cc2c[c-]ccc2s1.Cc1ccc(-c2ccccc2)cn1.Cc1ccc(C(=O)C(F)(F)F)cc1.Cc1ccc2nc(C)cnc2c1.Cc1cccc(C(=O)C(F)(F)F)c1.Cc1ccnc2c1c(C)cc1cccnc12.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc(-c2ccccc2)cn1.Cc1cncc(-c2ccccc2)n1.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cc1ncc2c[c-]ccc2n1.Cn1c2ccccc2c(=O)c2ccccc21.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[c-]1cc(-c2ccccc2)c[c-]n1.[c-]1ccc(-c2ccccc2)nc1
InChIInChI=1S/2C14H12N2.C14H11NO.C13H9N2.C12H10N.C12H11N.2C11H10N2.C11H8N.C11H7N.C10H10N2.C10H10O2.2C9H7F3O.C9H7N2.C9H4N.C9H7S.C8H3F6.C8H6NO.C8H6NS.11W/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-9-5-7-16-14-12(9)10(2)8-11-4-3-6-15-13(11)14;1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-9-7-13-11(8-12-9)10-5-3-2-4-6-10;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7(11)9-3-5-10(6-4-9)8(2)12;1-6-2-4-7(5-3-6)8(13)9(10,11)12;1-6-3-2-4-7(5-6)8(13)9(10,11)12;1-7-10-6-8-4-2-3-5-9(8)11-7;1-2-8-4-3-5-9(6-8)7-10;1-7-6-8-4-2-3-5-9(8)10-7;9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;2*1-6-9-7-4-2-3-5-8(7)10-6;;;;;;;;;;;/h2*3-8H,1-2H3;2-9H,1H3;2-7H,1H3;2-7,9H,1H3;2-9H,1H3;2*2-8H,1H3;1-4,6-9H;1-7H;2*3-6H,1-2H3;2*2-5H,1H3;3-6H,1H3;1,4-6H;3-6H,1H3;2-4H;2*2,4-5H,1H3;;;;;;;;;;;/q;;;2*-1;;;;-1;-2;;;;;6*-1;;;;;;;;;;;
InChIKeyVEQLOPADCUOHQX-UHFFFAOYSA-N
XLogP51.84
TPSA385.01 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005433.17
LogP ≤ 551.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten with MolForge

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Related Compounds

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
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;methane;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;4-methyl-[1]benzothiolo[2,3-b]pyridine;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;6-methyl-4-phenyl-2H-pyridin-2-ide;9-methylpyrido[2,3-b]indole;2-methyl-6H-quinazolin-6-ide;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten
CID 159364846
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;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)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-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 162122198
4-Naphthalen-2-yl-2-propan-2-ylquinazoline;4-naphthalen-2-yl-2-propan-2-ylquinoline;4-(4-phenylphenyl)-2-propan-2-ylquinazoline;4-(4-phenylphenyl)-2-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinazoline;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;8-(4-propan-2-ylphenyl)quinoline
CID 157864696
2-[3-Anthracen-9-yl-5-(3-pyridin-4-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[6-(10-naphthalen-1-ylanthracen-9-yl)-4-tetracen-5-yl-2-pyridinyl]-1,3-benzoxazole;2-[3-(1,10-phenanthrolin-5-yl)-5-(10-phenylanthracen-9-yl)phenyl]-1,3-benzothiazole;1-phenyl-2-[2-pyren-1-yl-6-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]benzimidazole
CID 158735720
2-[4-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]naphthalen-1-yl]-1,3-benzoxazole;2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
CID 158828904
2-[4-(6-Isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
CID 159303956
2-(3-Anthracen-9-yl-5-pyridin-3-ylphenyl)-3-phenylbenzimidazole-5-carbonitrile;2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
CID 160877306
10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;4-methyl-[1]benzothiolo[2,3-b]pyridine;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;9-methylcarbazole;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten
CID 161118651

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten?
The IUPAC name of 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten (CID 160985309) is 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten.
What is the SMILES notation for 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten?
The canonical SMILES for 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten is C#Cc1c[c-]cc(C#N)c1.CC(=O)c1ccc(C(C)=O)cc1.Cc1[c-]nc2c(ccc3cccnc32)c1.Cc1cc(-c2ccccc2)c[c-]n1.Cc1cc2c[c-]ccc2s1.Cc1ccc(-c2ccccc2)cn1.Cc1ccc(C(=O)C(F)(F)F)cc1.Cc1ccc2nc(C)cnc2c1.Cc1cccc(C(=O)C(F)(F)F)c1.Cc1ccnc2c1c(C)cc1cccnc12.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc(-c2ccccc2)cn1.Cc1cncc(-c2ccccc2)n1.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cc1ncc2c[c-]ccc2n1.Cn1c2ccccc2c(=O)c2ccccc21.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[c-]1cc(-c2ccccc2)c[c-]n1.[c-]1ccc(-c2ccccc2)nc1.
What is the InChIKey of 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten?
The InChIKey is VEQLOPADCUOHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2.C14H11NO.C13H9N2.C12H10N.C12H11N.2C11H10N2.C11H8N.C11H7N.C10H10N2.C10H10O2.2C9H7F3O.C9H7N2.C9H4N.C9H7S.C8H3F6.C8H6NO.C8H6NS.11W/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-9-5-7-16-14-12(9)10(2)8-11-4-3-6-15-13(11)14;1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-9-7-13-11(8-12-9)10-5-3-2-4-6-10;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7(11)9-3-5-10(6-4-9)8(2)12;1-6-2-4-7(5-3-6)8(13)9(10,11)12;1-6-3-2-4-7(5-6)8(13)9(10,11)12;1-7-10-6-8-4-2-3-5-9(8)11-7;1-2-8-4-3-5-9(6-8)7-10;1-7-6-8-4-2-3-5-9(8)10-7;9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;2*1-6-9-7-4-2-3-5-8(7)10-6;;;;;;;;;;;/h2*3-8H,1-2H3;2-9H,1H3;2-7H,1H3;2-7,9H,1H3;2-9H,1H3;2*2-8H,1H3;1-4,6-9H;1-7H;2*3-6H,1-2H3;2*2-5H,1H3;3-6H,1H3;1,4-6H;3-6H,1H3;2-4H;2*2,4-5H,1H3;;;;;;;;;;;/q;;;2*-1;;;;-1;-2;;;;;6*-1;;;;;;;;;;;.
What are the key properties of 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten?
1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten has a molecular weight of 5433.17 g/mol, XLogP of 51.84, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;6-methyl-4-phenyl-2H-pyridin-2-ide;2-methyl-6H-quinazolin-6-ide;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten is sourced from PubChem (CID 160985309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).