benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc

C139H101N9O9S4SiZn4 — CID 158086726

IUPACbenzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc
SMILESCc1ccc2nc(-c3ccccc3O)sc2c1.Oc1cccc2ccc3cccnc3c12.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2o1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C31H23NO2Si.C19H14N2O.2C19H13NOS.C14H11NOS.C13H9NOS.C13H9NO.C11H9NO.4Zn/c33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;1-9-6-7-11-13(8-9)17-14(15-11)10-4-2-3-5-12(10)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;;;;/h1-22,33H;1-13,22H;2*1-12,21H;2-8,16H,1H3;1-8,15H;1-8,15H;1-8,13H;;;;
InChIKeyJCRIZQOCICLVTP-UHFFFAOYSA-N
MW2459.30 g/mol
LogP32.83
Rot. Bonds14

About benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc

benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc (PubChem CID 158086726) has the molecular formula C139H101N9O9S4SiZn4 and a molecular weight of 2459.30 g/mol. Its IUPAC name is benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc.

Molecular Properties

Compound Namebenzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc
PubChem CID158086726
Molecular FormulaC139H101N9O9S4SiZn4
Molecular Weight2459.30 g/mol
Exact Mass2451.35
IUPAC Namebenzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc
SMILESCc1ccc2nc(-c3ccccc3O)sc2c1.Oc1cccc2ccc3cccnc3c12.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2o1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C31H23NO2Si.C19H14N2O.2C19H13NOS.C14H11NOS.C13H9NOS.C13H9NO.C11H9NO.4Zn/c33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;1-9-6-7-11-13(8-9)17-14(15-11)10-4-2-3-5-12(10)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;;;;/h1-22,33H;1-13,22H;2*1-12,21H;2-8,16H,1H3;1-8,15H;1-8,15H;1-8,13H;;;;
InChIKeyJCRIZQOCICLVTP-UHFFFAOYSA-N
XLogP32.83
TPSA283.03 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002459.30
LogP ≤ 532.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
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
CID 158633368
CID 158633368
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
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675
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
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
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-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;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-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;4-phenyl-2-[4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]-1,3-benzothiazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
CID 160860604
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc?
The IUPAC name of benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc (CID 158086726) is benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc.
What is the SMILES notation for benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc?
The canonical SMILES for benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc is Cc1ccc2nc(-c3ccccc3O)sc2c1.Oc1cccc2ccc3cccnc3c12.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2o1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc?
The InChIKey is JCRIZQOCICLVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO2Si.C19H14N2O.2C19H13NOS.C14H11NOS.C13H9NOS.C13H9NO.C11H9NO.4Zn/c33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;1-9-6-7-11-13(8-9)17-14(15-11)10-4-2-3-5-12(10)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;;;;/h1-22,33H;1-13,22H;2*1-12,21H;2-8,16H,1H3;1-8,15H;1-8,15H;1-8,13H;;;;.
What are the key properties of benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc?
benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc has a molecular weight of 2459.30 g/mol, XLogP of 32.83, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;zinc is sourced from PubChem (CID 158086726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).