1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten

C215H178F18N22O2S3W8-8 — CID 162093370

IUPAC1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten
SMILESC#Cc1cc(C)ccc1C#N.CC(F)(F)c1c[c-]ccc1.CC(F)(F)c1cc[c-]cc1.CS(=O)(=O)c1cc[c-]cc1.Cc1[c-]c(C)cc(C#N)c1.Cc1[c-]cc(C(F)(F)F)cc1C.Cc1c(C)c2cccnc2c2ncccc12.Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1C.Cc1ccc(C(F)(F)F)c(C(C)(F)F)c1.Cc1ccc2[c-]cccc2n1.Cc1cccc2c1sc1ccccc12.Cc1ccnc2sc3ccccc3c12.Cc1cnc2[c-]nccc2c1.Cc1cnc2ccccc2c1.Cc1nc2c3ccccc3c3ccccc3c2[n-]1.Cc1nc2ccccc2c2ccccc12.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.Cn1cnc2cc3c(cc21)ncn3C.[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C16H11N2.C14H12N2.C14H11N.C13H11N.C13H10S.C12H10N2.C12H9NS.C11H9N3.C10H8F6.C10H9F5.C10H10N4.C10H9N.C10H8N.C10H7N.C9H8F3.C9H7N2.C9H8N.2C8H7F2.C7H7O2S.8W/c1-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18-10;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;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;1-5-3-7(9(11,12)13)8(4-6(5)2)10(14,15)16;1-6-3-4-7(10(13,14)15)8(5-6)9(2,11)12;1-13-5-11-7-4-10-8(3-9(7)13)12-6-14(10)2;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-3-9-6-8(2)4-5-10(9)7-11;1-6-3-4-8(5-7(6)2)9(10,11)12;1-7-4-8-2-3-10-6-9(8)11-5-7;1-7-3-8(2)5-9(4-7)6-10;2*1-8(9,10)7-5-3-2-4-6-7;1-10(8,9)7-5-3-2-4-6-7;;;;;;;;/h2-9H,1H3;3-8H,1-2H3;2-9H,1H3;2-9H,1H3;2*2-8H,1H3;2*2-7H,1H3;3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2-7H,1H3;2-3,5-7H,1H3;1,4-6H,2H3;4-5H,1-2H3;2-5H,1H3;4-5H,1-2H3;3-6H,1H3;2-3,5-6H,1H3;3-6H,1H3;;;;;;;;/q-1;;;;;;;;;;;;-1;;6*-1;;;;;;;;
InChIKeyQNUDBPZKAHALQV-UHFFFAOYSA-N
MW5010.83 g/mol
LogP56.77
Rot. Bonds4

About 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten

1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten (PubChem CID 162093370) has the molecular formula C215H178F18N22O2S3W8-8 and a molecular weight of 5010.83 g/mol. Its IUPAC name is 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 Name1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten
PubChem CID162093370
Molecular FormulaC215H178F18N22O2S3W8-8
Molecular Weight5010.83 g/mol
Exact Mass5008.95
IUPAC Name1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten
SMILESC#Cc1cc(C)ccc1C#N.CC(F)(F)c1c[c-]ccc1.CC(F)(F)c1cc[c-]cc1.CS(=O)(=O)c1cc[c-]cc1.Cc1[c-]c(C)cc(C#N)c1.Cc1[c-]cc(C(F)(F)F)cc1C.Cc1c(C)c2cccnc2c2ncccc12.Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1C.Cc1ccc(C(F)(F)F)c(C(C)(F)F)c1.Cc1ccc2[c-]cccc2n1.Cc1cccc2c1sc1ccccc12.Cc1ccnc2sc3ccccc3c12.Cc1cnc2[c-]nccc2c1.Cc1cnc2ccccc2c1.Cc1nc2c3ccccc3c3ccccc3c2[n-]1.Cc1nc2ccccc2c2ccccc12.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.Cn1cnc2cc3c(cc21)ncn3C.[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C16H11N2.C14H12N2.C14H11N.C13H11N.C13H10S.C12H10N2.C12H9NS.C11H9N3.C10H8F6.C10H9F5.C10H10N4.C10H9N.C10H8N.C10H7N.C9H8F3.C9H7N2.C9H8N.2C8H7F2.C7H7O2S.8W/c1-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18-10;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;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;1-5-3-7(9(11,12)13)8(4-6(5)2)10(14,15)16;1-6-3-4-7(10(13,14)15)8(5-6)9(2,11)12;1-13-5-11-7-4-10-8(3-9(7)13)12-6-14(10)2;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-3-9-6-8(2)4-5-10(9)7-11;1-6-3-4-8(5-7(6)2)9(10,11)12;1-7-4-8-2-3-10-6-9(8)11-5-7;1-7-3-8(2)5-9(4-7)6-10;2*1-8(9,10)7-5-3-2-4-6-7;1-10(8,9)7-5-3-2-4-6-7;;;;;;;;/h2-9H,1H3;3-8H,1-2H3;2-9H,1H3;2-9H,1H3;2*2-8H,1H3;2*2-7H,1H3;3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2-7H,1H3;2-3,5-7H,1H3;1,4-6H,2H3;4-5H,1-2H3;2-5H,1H3;4-5H,1-2H3;3-6H,1H3;2-3,5-6H,1H3;3-6H,1H3;;;;;;;;/q-1;;;;;;;;;;;;-1;;6*-1;;;;;;;;
InChIKeyQNUDBPZKAHALQV-UHFFFAOYSA-N
XLogP56.77
TPSA300.93 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds4
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005010.83
LogP ≤ 556.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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

CID 158474531
CID 158474531
1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2-ethynyl-4-methylbenzonitrile;methane;4-methyl-1,2-bis(trifluoromethyl)benzene;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;tungsten
CID 160193026
1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;2-ethynyl-4-methylbenzonitrile;4-methyldibenzothiophene;3-methyl-8H-1,6-naphthyridin-8-ide;6-methylphenanthridine;3-methylquinoline;methylsulfonylbenzene;tungsten
CID 161130567
5-[5-[3-(Benzenesulfonyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-bis(10-phenylphenazin-5-yl)phenyl]-10-phenylphenazine;9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-2-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 161256499
2,6-Bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 161454266
Deuteriomethane;5,6-diisocyano-2-propan-2-yl-1,3-benzothiazole-4,7-dicarbonitrile;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzothiazole;ethane;fluoromethane;isocyanomethane;tetradecakis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine;4,5,6,7-tetradeuterio-2-propan-2-yl-1,3-benzothiazole;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzothiazole
CID 165106574
4-(1,3-Benzothiazol-2-yl)-2,3,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)benzonitrile;4-(4,6-diphenylpyrimidin-2-yl)-2,3,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)benzonitrile
CID 156312975
CID 157101963
CID 157101963
4-(Benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline
CID 157177372
9-(3-Dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;9-(4-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;6-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-b]quinoxaline;6-phenyl-9-[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]indolo[3,2-b]quinoxaline
CID 157223495
10-(4-Carbazol-9-ylphenyl)-15-ethyl-8lambda6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;10-(3,5-diphenylphenyl)-15-ethyl-8lambda6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;10-(3,5-diphenyl-1,3,5-triazine-1,3,5-triium-1-yl)-15-ethyl-8lambda6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-10-[4-(5-phenylthiophen-2-yl)phenyl]-8lambda6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-10-pyridin-4-yl-8lambda6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 157228634
8-Tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
CID 157236853

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten (CID 162093370) is 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten is C#Cc1cc(C)ccc1C#N.CC(F)(F)c1c[c-]ccc1.CC(F)(F)c1cc[c-]cc1.CS(=O)(=O)c1cc[c-]cc1.Cc1[c-]c(C)cc(C#N)c1.Cc1[c-]cc(C(F)(F)F)cc1C.Cc1c(C)c2cccnc2c2ncccc12.Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1C.Cc1ccc(C(F)(F)F)c(C(C)(F)F)c1.Cc1ccc2[c-]cccc2n1.Cc1cccc2c1sc1ccccc12.Cc1ccnc2sc3ccccc3c12.Cc1cnc2[c-]nccc2c1.Cc1cnc2ccccc2c1.Cc1nc2c3ccccc3c3ccccc3c2[n-]1.Cc1nc2ccccc2c2ccccc12.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccncc2c2cnccc21.Cn1cnc2cc3c(cc21)ncn3C.[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 QNUDBPZKAHALQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C14H12N2.C14H11N.C13H11N.C13H10S.C12H10N2.C12H9NS.C11H9N3.C10H8F6.C10H9F5.C10H10N4.C10H9N.C10H8N.C10H7N.C9H8F3.C9H7N2.C9H8N.2C8H7F2.C7H7O2S.8W/c1-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18-10;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;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;1-5-3-7(9(11,12)13)8(4-6(5)2)10(14,15)16;1-6-3-4-7(10(13,14)15)8(5-6)9(2,11)12;1-13-5-11-7-4-10-8(3-9(7)13)12-6-14(10)2;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-3-9-6-8(2)4-5-10(9)7-11;1-6-3-4-8(5-7(6)2)9(10,11)12;1-7-4-8-2-3-10-6-9(8)11-5-7;1-7-3-8(2)5-9(4-7)6-10;2*1-8(9,10)7-5-3-2-4-6-7;1-10(8,9)7-5-3-2-4-6-7;;;;;;;;/h2-9H,1H3;3-8H,1-2H3;2-9H,1H3;2-9H,1H3;2*2-8H,1H3;2*2-7H,1H3;3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2-7H,1H3;2-3,5-7H,1H3;1,4-6H,2H3;4-5H,1-2H3;2-5H,1H3;4-5H,1-2H3;3-6H,1H3;2-3,5-6H,1H3;3-6H,1H3;;;;;;;;/q-1;;;;;;;;;;;;-1;;6*-1;;;;;;;;.
What are the key properties of 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tungsten?
1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 5010.83 g/mol, XLogP of 56.77, 4 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylbenzene;1,1-difluoroethylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-(trifluoromethyl)benzene;3,5-dimethylbenzene-4-ide-1-carbonitrile;1,2-dimethyl-4,5-bis(trifluoromethyl)benzene;3,7-dimethylimidazo[4,5-f]benzimidazole;5,6-dimethyl-1,10-phenanthroline;1,2-dimethyl-4-(trifluoromethyl)benzene-6-ide;2-ethynyl-4-methylbenzonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;3-methyl-8H-1,7-naphthyridin-8-ide;6-methylphenanthridine;2-methylphenanthro[9,10-d]imidazol-1-ide;9-methylpyrido[2,3-b]indole;3-methylquinoline;2-methyl-5H-quinolin-5-ide;methylsulfonylbenzene;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 162093370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).