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

C191H178F6N21O4S3W9-9 — CID 159364846

About 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

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 (PubChem CID 159364846) has the molecular formula C191H178F6N21O4S3W9-9 and a molecular weight of 4696.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159364846
• Molecular Formula: C191H178F6N21O4S3W9-9
• Molecular Weight: 4696.42 g/mol
• Exact Mass: 4694.91
• IUPAC Name: 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
• SMILES: C.C.C.C.C.C.C.C.C.C#Cc1c[c-]cc(C#N)c1.Cc1cc(-c2ccccc2)c[c-]n1.Cc1cc2c[c-]ccc2s1.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.Cc1ccnc2sc3ccccc3c12.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cc1ncc2c[c-]ccc2n1.Cn1c2ccccc2c(=O)c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.[W].[W].[W].[W].[W].[W].[W].[W].[W].[c-]1cc(-c2ccccc2)c[c-]n1.[c-]1ccc(-c2ccccc2)nc1
• InChI: InChI=1S/2C14H12N2.C14H11NO.C12H10N2.C12H9NS.C12H10N.C11H9N3.C11H8N.C11H7N.C10H10N2.2C9H7F3O.C9H7N2.C9H4N.C9H7S.C8H6NO.C8H6NS.9CH4.9W/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;1-14-11-7-3-2-5-9(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;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;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;1-6-2-4-7(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;2*1-6-9-7-4-2-3-5-8(7)10-6;;;;;;;;;;;;;;;;;;/h2*3-8H,1-2H3;2-9H,1H3;2-8H,1H3;2-7H,1H3;2-7,9H,1H3;2-7H,1H3;1-4,6-9H;1-7H;3-6H,1-2H3;2*2-5H,1H3;3-6H,1H3;1,4-6H;3-6H,1H3;2*2,4-5H,1H3;9*1H4;;;;;;;;;/q;;;;;-1;;-1;-2;;;;5*-1
• InChIKey: AGEQCSRYIJVYFM-UHFFFAOYSA-N
• XLogP: 49.71
• TPSA: 322.06 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 5
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4696.42
LogP ≤ 5	49.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C#Cc1c[c-]cc(C#N)c1.Cc1cc(-c2ccccc2)c[c-]n1.Cc1cc2c[c-]ccc2s1.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.Cc1ccnc2sc3ccccc3c12.Cc1nc2cc[c-]cc2o1.Cc1nc2cc[c-]cc2s1.Cc1ncc2c[c-]ccc2n1.Cn1c2ccccc2c(=O)c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.[W].[W].[W].[W].[W].[W].[W].[W].[W].[c-]1cc(-c2ccccc2)c[c-]n1.[c-]1ccc(-c2ccccc2)nc1.

What is the InChIKey of 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?

The InChIKey is AGEQCSRYIJVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2.C14H11NO.C12H10N2.C12H9NS.C12H10N.C11H9N3.C11H8N.C11H7N.C10H10N2.2C9H7F3O.C9H7N2.C9H4N.C9H7S.C8H6NO.C8H6NS.9CH4.9W/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;1-14-11-7-3-2-5-9(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;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;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;1-6-2-4-7(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;2*1-6-9-7-4-2-3-5-8(7)10-6;;;;;;;;;;;;;;;;;;/h2*3-8H,1-2H3;2-9H,1H3;2-8H,1H3;2-7H,1H3;2-7,9H,1H3;2-7H,1H3;1-4,6-9H;1-7H;3-6H,1-2H3;2*2-5H,1H3;3-6H,1H3;1,4-6H;3-6H,1H3;2*2,4-5H,1H3;9*1H4;;;;;;;;;/q;;;;;-1;;-1;-2;;;;5*-1;;;;;;;;;;;;;;;;;;.

What are the key properties of 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?

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 has a molecular weight of 4696.42 g/mol, XLogP of 49.71, 5 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159364846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).