bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc

C99H64Cl6F9N19NiO7Zn2 — CID 158270448

IUPACbis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc
SMILESCOc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni].[Zn].[Zn]
InChIInChI=1S/C19H11Cl2N3O.C17H13F3N4O2.2C16H9ClF3N3O.C16H13N3O.C15H9Cl2N3O.Ni.2Zn/c20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25;2*17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;;;/h1-10,25H;3-8,25H,1-2H3;2*1-8,24H;2-10,20H,1H3;1-8,21H;;;/b2*24-23+;2*23-22+;19-18+;20-19+;;;
InChIKeyDQXGTDDIISWKRS-UBMIMYMDSA-N
MW2204.90 g/mol
LogP34.28
Rot. Bonds13

About bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc

bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc (PubChem CID 158270448) has the molecular formula C99H64Cl6F9N19NiO7Zn2 and a molecular weight of 2204.90 g/mol. Its IUPAC name is bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc.

Molecular Properties

Compound Namebis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc
PubChem CID158270448
Molecular FormulaC99H64Cl6F9N19NiO7Zn2
Molecular Weight2204.90 g/mol
Exact Mass2197.12
IUPAC Namebis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc
SMILESCOc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni].[Zn].[Zn]
InChIInChI=1S/C19H11Cl2N3O.C17H13F3N4O2.2C16H9ClF3N3O.C16H13N3O.C15H9Cl2N3O.Ni.2Zn/c20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25;2*17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;;;/h1-10,25H;3-8,25H,1-2H3;2*1-8,24H;2-10,20H,1H3;1-8,21H;;;/b2*24-23+;2*23-22+;19-18+;20-19+;;;
InChIKeyDQXGTDDIISWKRS-UBMIMYMDSA-N
XLogP34.28
TPSA369.16 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002204.90
LogP ≤ 534.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc with MolForge

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Related Compounds

10-[(3,5-Dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;ZINC
CID 135718507
10-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;ZINC
CID 135718514
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;ZINC
CID 135718534
Tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;ZINC
CID 158049229
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 158231344
10-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);ZINC
CID 159413008
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;ZINC
CID 161350157
(5-Chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene
CID 161474509
3-chloro-5-methyl-2-propan-2-ylpyridine;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
CID 161564391
tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;3-tert-butyl-2-chloropyridine;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;5-tert-butylpyridin-2-amine;4-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 163426448
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;3-tert-butyl-2-chloropyridine;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 163665946
2-[(E)-2-(2-amino-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]quinolin-8-ol;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 157378241

Frequently Asked Questions

What is the IUPAC name of bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?
The IUPAC name of bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc (CID 158270448) is bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc.
What is the SMILES notation for bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?
The canonical SMILES for bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc is COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni].[Zn].[Zn].
What is the InChIKey of bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?
The InChIKey is DQXGTDDIISWKRS-UBMIMYMDSA-N. The full InChI is InChI=1S/C19H11Cl2N3O.C17H13F3N4O2.2C16H9ClF3N3O.C16H13N3O.C15H9Cl2N3O.Ni.2Zn/c20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25;2*17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;;;/h1-10,25H;3-8,25H,1-2H3;2*1-8,24H;2-10,20H,1H3;1-8,21H;;;/b2*24-23+;2*23-22+;19-18+;20-19+;;;.
What are the key properties of bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?
bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc has a molecular weight of 2204.90 g/mol, XLogP of 34.28, 13 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc is sourced from PubChem (CID 158270448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).