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

C87H69N10O2S3W3-3 — CID 161118651

IUPAC10-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
SMILESCc1cc2c[c-]ccc2s1.Cc1ccnc2sc3ccccc3c12.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cn1c2ccccc2c(=O)c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.[W].[W].[W]
InChIInChI=1S/C14H11NO.C13H11N.C12H10N2.C12H9NS.C11H9N3.C9H7S.C8H6NO.C8H6NS.3W/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;;;/h2-9H,1H3;2-9H,1H3;2-8H,1H3;2*2-7H,1H3;3-6H,1H3;2*2,4-5H,1H3;;;/q;;;;;3*-1;;;
InChIKeyZYYQSVVPXFENQB-UHFFFAOYSA-N
MW1934.30 g/mol
LogP21.97
Rot. Bonds

About 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

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 (PubChem CID 161118651) has the molecular formula C87H69N10O2S3W3-3 and a molecular weight of 1934.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID161118651
Molecular FormulaC87H69N10O2S3W3-3
Molecular Weight1934.30 g/mol
Exact Mass1933.33
IUPAC Name10-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
SMILESCc1cc2c[c-]ccc2s1.Cc1ccnc2sc3ccccc3c12.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cn1c2ccccc2c(=O)c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.[W].[W].[W]
InChIInChI=1S/C14H11NO.C13H11N.C12H10N2.C12H9NS.C11H9N3.C9H7S.C8H6NO.C8H6NS.3W/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;;;/h2-9H,1H3;2-9H,1H3;2-8H,1H3;2*2-7H,1H3;3-6H,1H3;2*2,4-5H,1H3;;;/q;;;;;3*-1;;;
InChIKeyZYYQSVVPXFENQB-UHFFFAOYSA-N
XLogP21.97
TPSA127.27 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.30
LogP ≤ 521.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157075084
2,4-Diphenyl-8-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzofuro[2,3-d]pyrimidine;2,4-diphenyl-8-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 157114095
4,12-Bis(5-phenylpyrido[3,2-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(5-phenylpyrido[4,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylpyrido[3,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylpyrido[2,3-b]indol-7-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylpyrido[3,4-b]indol-7-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylpyrido[2,3-b]indol-7-yl)-12-(9-phenylpyrido[3,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157128975
[1]Benzofuro[3,2-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-oxa-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;pyrimido[4,5-c]isoquinoline;pyrimido[5,4-c]isoquinoline;8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 157167997
CID 157176278
CID 157176278
Benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
CID 157178612
5,5-Dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 157185844
4,12-Bis(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrido[4,3-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157203144
9,11-Bis(trideuteriomethyl)-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene;9,11-dimethyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene;11-methyl-9-oxa-1,5-diaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene;11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene;11-methyl-9-thia-1,5-diaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene
CID 157260680
2-[3-[3-(1,3-Benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;10-[3-[3-(9,9-dimethylacridin-10-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine
CID 157289302

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c[c-]ccc2s1.Cc1ccnc2sc3ccccc3c12.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cn1c2ccccc2c(=O)c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.[W].[W].[W].
What is the InChIKey of 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?
The InChIKey is ZYYQSVVPXFENQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.C13H11N.C12H10N2.C12H9NS.C11H9N3.C9H7S.C8H6NO.C8H6NS.3W/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;;;/h2-9H,1H3;2-9H,1H3;2-8H,1H3;2*2-7H,1H3;3-6H,1H3;2*2,4-5H,1H3;;;/q;;;;;3*-1;;;.
What are the key properties of 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?
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 has a molecular weight of 1934.30 g/mol, XLogP of 21.97, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161118651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).