dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc

C140H98N13O5S8Zn5- — CID 159442102

IUPACdizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc
SMILESOc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn].[Zn]
InChIInChI=1S/2C19H14N2O.C19H14N2S.C13H9NOS.C13H9NO.2C13H9NS2.2C11H9NS.C9H7NO.5Zn/c3*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;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;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h3*1-13,22H;1-8,15H;1-8,15H;2*1-8,15H;2*1-8,13H;1-6,11H;;;;;/q;;;;;;;;;;;;;2*+2/p-5
InChIKeyKBXPMVODRKSXDT-UHFFFAOYSA-I
MW2625.90 g/mol
LogP35.13
Rot. Bonds11

About dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc

dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc (PubChem CID 159442102) has the molecular formula C140H98N13O5S8Zn5- and a molecular weight of 2625.90 g/mol. Its IUPAC name is dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc.

Molecular Properties

Compound Namedizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc
PubChem CID159442102
Molecular FormulaC140H98N13O5S8Zn5-
Molecular Weight2625.90 g/mol
Exact Mass2616.20
IUPAC Namedizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc
SMILESOc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn].[Zn]
InChIInChI=1S/2C19H14N2O.C19H14N2S.C13H9NOS.C13H9NO.2C13H9NS2.2C11H9NS.C9H7NO.5Zn/c3*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;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;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h3*1-13,22H;1-8,15H;1-8,15H;2*1-8,15H;2*1-8,13H;1-6,11H;;;;;/q;;;;;;;;;;;;;2*+2/p-5
InChIKeyKBXPMVODRKSXDT-UHFFFAOYSA-I
XLogP35.13
TPSA244.84 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.90
LogP ≤ 535.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[1-methyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;platinum
CID 158656333
CID 159553973
CID 159553973
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-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;ZINC
CID 157076811
2-(4-Anthracen-2-ylphenyl)-1-phenylbenzimidazole;2-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole;naphthalene;1-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole;tetrakis(quinolin-8-ol);tri(quinolin-8-yloxy)alumane;zirconium
CID 157077777
CID 157089467
CID 157089467
2-[2-(2-Hydroxyphenyl)-1,3-benzothiazol-4-yl]-4-pyridin-2-ylbenzene-3-ide-1-carbonitrile;3-[2-(2-hydroxyphenyl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-(2-hydroxyphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole-6-carbonitrile;2-[7-isocyano-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;4-isocyano-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 157244690
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane
CID 157248560
Bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);4-fluoro-2-phenylbenzo[g]quinoline;iridium;1-methyl-2-phenylimidazole;ZINC
CID 157299096
CID 157311450
CID 157311450
2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 157408422
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylgermylphenyl)pyrene-1,6-diamine;2-N,2-N,6-N,6-N-tetraphenyl-9,10-bis[3-(5-phenylthiophen-2-yl)phenyl]anthracene-2,6-diamine;tri(quinolin-8-yloxy)alumane
CID 157464454
hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxido-1H-naphthalen-1-id-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 157568252

Frequently Asked Questions

What is the IUPAC name of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?
The IUPAC name of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc (CID 159442102) is dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc.
What is the SMILES notation for dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?
The canonical SMILES for dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc is Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn].[Zn].
What is the InChIKey of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?
The InChIKey is KBXPMVODRKSXDT-UHFFFAOYSA-I. The full InChI is InChI=1S/2C19H14N2O.C19H14N2S.C13H9NOS.C13H9NO.2C13H9NS2.2C11H9NS.C9H7NO.5Zn/c3*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;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;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h3*1-13,22H;1-8,15H;1-8,15H;2*1-8,15H;2*1-8,13H;1-6,11H;;;;;/q;;;;;;;;;;;;;2*+2/p-5.
What are the key properties of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?
dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc has a molecular weight of 2625.90 g/mol, XLogP of 35.13, 11 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc is sourced from PubChem (CID 159442102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).