copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

C62H58Cu2N12O13S2 — CID 21026774

IUPACcopper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
SMILESCOc1cc(/N=N\c2c(C)cc3ccc(/N=N/C4C(=O)N(c5ccc(C)cc5)N=C4C)cc3c2O)c(O)cc1S(=O)(=O)CCOCCS(=O)(=O)c1cc(O)c(/N=N\c2c(C)cc3ccc(/N=N/C4C(=O)N(c5ccc(C)cc5)N=C4C)cc3c2O)cc1OC.[Cu].[Cu]
InChIInChI=1S/C62H58N12O13S2.2Cu/c1-33-9-17-43(18-10-33)73-61(79)57(37(5)71-73)69-63-41-15-13-39-25-35(3)55(59(77)45(39)27-41)67-65-47-29-51(85-7)53(31-49(47)75)88(81,82)23-21-87-22-24-89(83,84)54-32-50(76)48(30-52(54)86-8)66-68-56-36(4)26-40-14-16-42(28-46(40)60(56)78)64-70-58-38(6)72-74(62(58)80)44-19-11-34(2)12-20-44;;/h9-20,25-32,57-58,75-78H,21-24H2,1-8H3;;/b67-65-,68-66-,69-63+,70-64+;;
InChIKeyQVLVXJXMSIYPPW-HZISAJQNSA-N
MW1370.44 g/mol
LogP12.91
Rot. Bonds20

About copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one (PubChem CID 21026774) has the molecular formula C62H58Cu2N12O13S2 and a molecular weight of 1370.44 g/mol. Its IUPAC name is copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Namecopper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
PubChem CID21026774
Molecular FormulaC62H58Cu2N12O13S2
Molecular Weight1370.44 g/mol
Exact Mass1368.23
IUPAC Namecopper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
SMILESCOc1cc(/N=N\c2c(C)cc3ccc(/N=N/C4C(=O)N(c5ccc(C)cc5)N=C4C)cc3c2O)c(O)cc1S(=O)(=O)CCOCCS(=O)(=O)c1cc(O)c(/N=N\c2c(C)cc3ccc(/N=N/C4C(=O)N(c5ccc(C)cc5)N=C4C)cc3c2O)cc1OC.[Cu].[Cu]
InChIInChI=1S/C62H58N12O13S2.2Cu/c1-33-9-17-43(18-10-33)73-61(79)57(37(5)71-73)69-63-41-15-13-39-25-35(3)55(59(77)45(39)27-41)67-65-47-29-51(85-7)53(31-49(47)75)88(81,82)23-21-87-22-24-89(83,84)54-32-50(76)48(30-52(54)86-8)66-68-56-36(4)26-40-14-16-42(28-46(40)60(56)78)64-70-58-38(6)72-74(62(58)80)44-19-11-34(2)12-20-44;;/h9-20,25-32,57-58,75-78H,21-24H2,1-8H3;;/b67-65-,68-66-,69-63+,70-64+;;
InChIKeyQVLVXJXMSIYPPW-HZISAJQNSA-N
XLogP12.91
TPSA341.11 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.44
LogP ≤ 512.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one with MolForge

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Related Compounds

copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 157205240
disodium;4-[4-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
CID 21125262
4-[(4S)-4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
CID 98048628
4-[[2,5-bis(2-hydroxyethoxy)-4-[[1-hydroxy-6-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]phenyl]diazenyl]-2,5-dimethoxybenzenesulfinate
CID 136612688
potassium;sodium;4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
CID 121232450
potassium;sodium;4-[4-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
CID 90476789
sodium 2-[[2-hydroxy-7-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalen-1-yl]diazenyl]-4-sulfophenolate
CID 136917485
6-[[5-carboxy-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-3-[[2-hydroxy-4-(2-hydroxyethylsulfonyl)-5-methoxyphenyl]diazenyl]naphthalene-2-sulfonate;copper
CID 135981109
4-[[7-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-8-hydroxy-6-sulfonaphthalen-2-yl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
CID 136606797
2-hydroxy-5-[[4-[[3-hydroxy-7-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-1-sulfonaphthalen-2-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 3017853
4-methyl-2-[5-methyl-4-[[(4S)-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]-5-[[(4R)-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 124635902
4-[3-carbamoyl-4-[[5-hydroxy-6-[[4-[(8-hydroxynaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]naphthalen-2-yl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid;tris(sulfur trioxide)
CID 158086889

Frequently Asked Questions

What is the IUPAC name of copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
The IUPAC name of copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one (CID 21026774) is copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one is COc1cc(/N=N\c2c(C)cc3ccc(/N=N/C4C(=O)N(c5ccc(C)cc5)N=C4C)cc3c2O)c(O)cc1S(=O)(=O)CCOCCS(=O)(=O)c1cc(O)c(/N=N\c2c(C)cc3ccc(/N=N/C4C(=O)N(c5ccc(C)cc5)N=C4C)cc3c2O)cc1OC.[Cu].[Cu].
What is the InChIKey of copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
The InChIKey is QVLVXJXMSIYPPW-HZISAJQNSA-N. The full InChI is InChI=1S/C62H58N12O13S2.2Cu/c1-33-9-17-43(18-10-33)73-61(79)57(37(5)71-73)69-63-41-15-13-39-25-35(3)55(59(77)45(39)27-41)67-65-47-29-51(85-7)53(31-49(47)75)88(81,82)23-21-87-22-24-89(83,84)54-32-50(76)48(30-52(54)86-8)66-68-56-36(4)26-40-14-16-42(28-46(40)60(56)78)64-70-58-38(6)72-74(62(58)80)44-19-11-34(2)12-20-44;;/h9-20,25-32,57-58,75-78H,21-24H2,1-8H3;;/b67-65-,68-66-,69-63+,70-64+;;.
What are the key properties of copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one has a molecular weight of 1370.44 g/mol, XLogP of 12.91, 20 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-[[8-hydroxy-7-[[2-hydroxy-4-[2-[2-[5-hydroxy-4-[[1-hydroxy-3-methyl-7-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalen-2-yl]diazenyl]-2-methoxyphenyl]sulfonylethoxy]ethylsulfonyl]-5-methoxyphenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 21026774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).