diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate

C322H233Be2F2N17O20S11Si2Zn6+4 — CID 157457075

IUPACdiberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.O.O.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[OH-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C31H23NOSSi.2C28H21NOS.2C23H15NOS.2C19H12FNOS.C19H14N2O.2C19H13NOS.C13H9NO2.C13H9NOS.2C13H9NO.C11H9NO.2Be.3H2O.6Zn/c2*33-29-19-11-10-18-27(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;2*1-28(2)22-8-4-3-7-19(22)20-13-11-18(16-23(20)28)17-12-14-25(30)21(15-17)27-29-24-9-5-6-10-26(24)31-27;2*25-21-12-11-18(17-10-9-15-5-1-2-6-16(15)13-17)14-19(21)23-24-20-7-3-4-8-22(20)26-23;2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;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;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*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;;;;;;;;;;;/h2*1-22,33H;2*3-16,30H,1-2H3;2*1-14,25H;2*1-11,22H;1-13,22H;2*1-12,21H;2*1-8,15H;2*1-8,15H;1-8,13H;;;3*1H2;;;;;;/q;;;;;;;;;;;;;;;;2*+2;;;;;;;;;
InChIKeyFFZYTPFIIJJWJK-UHFFFAOYSA-N
MW5517.77 g/mol
LogP73.06
Rot. Bonds31

About diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate

diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate (PubChem CID 157457075) has the molecular formula C322H233Be2F2N17O20S11Si2Zn6+4 and a molecular weight of 5517.77 g/mol. Its IUPAC name is diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate.

Molecular Properties

Compound Namediberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate
PubChem CID157457075
Molecular FormulaC322H233Be2F2N17O20S11Si2Zn6+4
Molecular Weight5517.77 g/mol
Exact Mass5504.01
IUPAC Namediberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.O.O.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[OH-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C31H23NOSSi.2C28H21NOS.2C23H15NOS.2C19H12FNOS.C19H14N2O.2C19H13NOS.C13H9NO2.C13H9NOS.2C13H9NO.C11H9NO.2Be.3H2O.6Zn/c2*33-29-19-11-10-18-27(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;2*1-28(2)22-8-4-3-7-19(22)20-13-11-18(16-23(20)28)17-12-14-25(30)21(15-17)27-29-24-9-5-6-10-26(24)31-27;2*25-21-12-11-18(17-10-9-15-5-1-2-6-16(15)13-17)14-19(21)23-24-20-7-3-4-8-22(20)26-23;2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;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;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*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;;;;;;;;;;;/h2*1-22,33H;2*3-16,30H,1-2H3;2*1-14,25H;2*1-11,22H;1-13,22H;2*1-12,21H;2*1-8,15H;2*1-8,15H;1-8,13H;;;3*1H2;;;;;;/q;;;;;;;;;;;;;;;;2*+2;;;;;;;;;
InChIKeyFFZYTPFIIJJWJK-UHFFFAOYSA-N
XLogP73.06
TPSA654.48 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms382
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005517.77
LogP ≤ 573.06
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Analyze diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate with MolForge

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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-(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
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
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;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;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-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 160944258
6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 157058602
Beryllium;dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-isoquinolin-1-ylbenzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;quinolin-1-ium-8-olate;ZINC
CID 157094102
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane
CID 157249715
Diberyllium;ZINC;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;ZINC
CID 157277191
2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
CID 157312289
Diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);ZINC
CID 157336382
Hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
CID 157340638

Frequently Asked Questions

What is the IUPAC name of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate?
The IUPAC name of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate (CID 157457075) is diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate.
What is the SMILES notation for diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate?
The canonical SMILES for diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate is CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.O.O.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[OH-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate?
The InChIKey is FFZYTPFIIJJWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H23NOSSi.2C28H21NOS.2C23H15NOS.2C19H12FNOS.C19H14N2O.2C19H13NOS.C13H9NO2.C13H9NOS.2C13H9NO.C11H9NO.2Be.3H2O.6Zn/c2*33-29-19-11-10-18-27(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;2*1-28(2)22-8-4-3-7-19(22)20-13-11-18(16-23(20)28)17-12-14-25(30)21(15-17)27-29-24-9-5-6-10-26(24)31-27;2*25-21-12-11-18(17-10-9-15-5-1-2-6-16(15)13-17)14-19(21)23-24-20-7-3-4-8-22(20)26-23;2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;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;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*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;;;;;;;;;;;/h2*1-22,33H;2*3-16,30H,1-2H3;2*1-14,25H;2*1-11,22H;1-13,22H;2*1-12,21H;2*1-8,15H;2*1-8,15H;1-8,13H;;;3*1H2;;;;;;/q;;;;;;;;;;;;;;;;2*+2;;;;;;;;;.
What are the key properties of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate?
diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate has a molecular weight of 5517.77 g/mol, XLogP of 73.06, 31 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc;hydroxide;dihydrate is sourced from PubChem (CID 157457075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).