tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc

C228H164N20O24S4Zn10 — CID 157309202

IUPACtetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc
SMILESOc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/4C13H9NO2.4C13H9NOS.4C13H9NO.8C9H7NO.10Zn/c8*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;;/h8*1-8,15H;4*1-8,15H;8*1-6,11H;;;;;;;;;;
InChIKeyIHRRSLOMDYUAFC-UHFFFAOYSA-N
MW4350.10 g/mol
LogP55.35
Rot. Bonds8

About tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc

tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc (PubChem CID 157309202) has the molecular formula C228H164N20O24S4Zn10 and a molecular weight of 4350.10 g/mol. Its IUPAC name is tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc.

Molecular Properties

Compound Nametetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc
PubChem CID157309202
Molecular FormulaC228H164N20O24S4Zn10
Molecular Weight4350.10 g/mol
Exact Mass4332.40
IUPAC Nametetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc
SMILESOc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/4C13H9NO2.4C13H9NOS.4C13H9NO.8C9H7NO.10Zn/c8*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;;/h8*1-8,15H;4*1-8,15H;8*1-6,11H;;;;;;;;;;
InChIKeyIHRRSLOMDYUAFC-UHFFFAOYSA-N
XLogP55.35
TPSA714.96 Ų
H-Bond Donors20
H-Bond Acceptors48
Rotatable Bonds8
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004350.10
LogP ≤ 555.35
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc with MolForge

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Related Compounds

ZINC;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);ZINC
CID 157075202
Hexalithium;7-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate;5-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 157207226
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-(1,3-Benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;ZINC
CID 157303406
2-[4-(3-Tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 157371095
6-(4-phenylphenyl)-2-[9-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))
CID 157716288
Beryllium;dizinc;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzoxazol-2-yl)benzenethiolate);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;quinolin-8-ol;bis(2-(1,3-thiazol-2-yl)benzenethiolate);ZINC
CID 157755920
2-[4-(3-Tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 157850828
Diberyllium;ZINC;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;ZINC
CID 158026046
2-(1,3-Benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)phenol;carbon monoxide;quinolin-8-ol;rhenium
CID 158040239
2-(1,3-Benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;1-(1,3-benzoxazol-2-yl)naphthalen-2-ol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;ZINC
CID 158263741
beryllium;aniline;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-2-yl)-4-diphenylsilylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol;tris(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
CID 158493697

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc?
The IUPAC name of tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc (CID 157309202) is tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc.
What is the SMILES notation for tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc?
The canonical SMILES for tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc is Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc?
The InChIKey is IHRRSLOMDYUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9NO2.4C13H9NOS.4C13H9NO.8C9H7NO.10Zn/c8*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;;/h8*1-8,15H;4*1-8,15H;8*1-6,11H;;;;;;;;;;.
What are the key properties of tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc?
tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc has a molecular weight of 4350.10 g/mol, XLogP of 55.35, 8 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(benzo[h]quinolin-10-ol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);octakis(quinolin-8-ol);zinc is sourced from PubChem (CID 157309202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).