diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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

C276H197Be2F2N15O14S10Si2Zn5+4 — CID 162218832

IUPACdiberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.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+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C31H23NOSSi.2C28H21NOS.2C19H12FNOS.C19H14N2O.2C19H13NOS.2C13H9NOS.2C13H9NO.C11H9NO.2Be.5Zn/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*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*1-11,22H;1-13,22H;2*1-12,21H;2*1-8,15H;2*1-8,15H;1-8,13H;;;;;;;/q;;;;;;;;;;;;;;2*+2;;;;;
InChIKeyHGIYZVUMOZIPFG-UHFFFAOYSA-N
MW4707.51 g/mol
LogP61.75
Rot. Bonds27

About diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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

diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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 (PubChem CID 162218832) has the molecular formula C276H197Be2F2N15O14S10Si2Zn5+4 and a molecular weight of 4707.51 g/mol. Its IUPAC name is diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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.

Molecular Properties

Compound Namediberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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
PubChem CID162218832
Molecular FormulaC276H197Be2F2N15O14S10Si2Zn5+4
Molecular Weight4707.51 g/mol
Exact Mass4695.86
IUPAC Namediberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.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+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C31H23NOSSi.2C28H21NOS.2C19H12FNOS.C19H14N2O.2C19H13NOS.2C13H9NOS.2C13H9NO.C11H9NO.2Be.5Zn/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*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*1-11,22H;1-13,22H;2*1-12,21H;2*1-8,15H;2*1-8,15H;1-8,13H;;;;;;;/q;;;;;;;;;;;;;;2*+2;;;;;
InChIKeyHGIYZVUMOZIPFG-UHFFFAOYSA-N
XLogP61.75
TPSA484.93 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms326
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004707.51
LogP ≤ 561.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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?
The IUPAC name of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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 (CID 162218832) is diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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.
What is the SMILES notation for diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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?
The canonical SMILES for diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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 is CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.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+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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?
The InChIKey is HGIYZVUMOZIPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H23NOSSi.2C28H21NOS.2C19H12FNOS.C19H14N2O.2C19H13NOS.2C13H9NOS.2C13H9NO.C11H9NO.2Be.5Zn/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*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*1-11,22H;1-13,22H;2*1-12,21H;2*1-8,15H;2*1-8,15H;1-8,13H;;;;;;;/q;;;;;;;;;;;;;;2*+2;;;;;.
What are the key properties of diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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?
diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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 has a molecular weight of 4707.51 g/mol, XLogP of 61.75, 27 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for diberyllium;bis(benzo[h]quinolin-1-ium-10-olate);2-(1,3-benzothiazol-3-ium-2-yl)phenolate;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);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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 is sourced from PubChem (CID 162218832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).