copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate

C38H21CuN8Na4O18S5- — CID 135993874

IUPACcopper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1ccc([O-])c(/N=N/c2ccc(O)c(/N=N/c3ccc(/C=C/c4ccc(/N=N/c5ccc(/N=N/c6ccccc6S(=O)(=O)[O-])c(S(=O)(=O)[O-])c5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)c2[O-])c1.[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C38H28N8O18S5.Cu.4Na/c47-31-15-12-26(65(50,51)52)20-30(31)45-44-29-14-16-32(48)37(38(29)49)46-41-24-10-8-22(35(18-24)68(59,60)61)6-5-21-7-9-23(17-34(21)67(56,57)58)39-40-25-11-13-28(36(19-25)69(62,63)64)43-42-27-3-1-2-4-33(27)66(53,54)55;;;;;/h1-20,47-49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;/q;+2;4*+1/p-7/b6-5+,40-39+,43-42+,45-44+,46-41+;;;;;
InChIKeyICHHWMRNZXWRBP-WMUYYQMNSA-G
MW1193.46 g/mol
LogP-6.09
Rot. Bonds15

About copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate

copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate (PubChem CID 135993874) has the molecular formula C38H21CuN8Na4O18S5- and a molecular weight of 1193.46 g/mol. Its IUPAC name is copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate.

Molecular Properties

Compound Namecopper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
PubChem CID135993874
Molecular FormulaC38H21CuN8Na4O18S5-
Molecular Weight1193.46 g/mol
Exact Mass1191.85
IUPAC Namecopper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1ccc([O-])c(/N=N/c2ccc(O)c(/N=N/c3ccc(/C=C/c4ccc(/N=N/c5ccc(/N=N/c6ccccc6S(=O)(=O)[O-])c(S(=O)(=O)[O-])c5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)c2[O-])c1.[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C38H28N8O18S5.Cu.4Na/c47-31-15-12-26(65(50,51)52)20-30(31)45-44-29-14-16-32(48)37(38(29)49)46-41-24-10-8-22(35(18-24)68(59,60)61)6-5-21-7-9-23(17-34(21)67(56,57)58)39-40-25-11-13-28(36(19-25)69(62,63)64)43-42-27-3-1-2-4-33(27)66(53,54)55;;;;;/h1-20,47-49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;/q;+2;4*+1/p-7/b6-5+,40-39+,43-42+,45-44+,46-41+;;;;;
InChIKeyICHHWMRNZXWRBP-WMUYYQMNSA-G
XLogP-6.09
TPSA451.23 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.46
LogP ≤ 5-6.09
H-Bond Donors ≤ 51
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': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate with MolForge

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Related Compounds

copper;sodium;3-[[3-[(3-amino-4-nitrophenyl)diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate
CID 171391214
copper 2-hydroxy-5-[[4-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]benzoate
CID 165362979
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170
hexasodium;5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonate
CID 100952539
disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 517203
hexasodium;4-amino-8-[[4-[2-[4-[(5-amino-4-hydroxy-6,8-disulfonatonaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
CID 138395883
disodium;5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 135570583
tetrasodium;5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
CID 102532596
sodium 5-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-[(E)-2-[4-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135499455
sodium 5-[(4-hydroxynaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135421920
copper;hydron;3-[[4-hydroxy-3-[(4-nitro-2-sulfonatophenyl)diazenyl]-2-oxidophenyl]diazenyl]-5-nitro-2-oxidobenzenesulfonate
CID 165361128
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992

Frequently Asked Questions

What is the IUPAC name of copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate?
The IUPAC name of copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate (CID 135993874) is copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate.
What is the SMILES notation for copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate?
The canonical SMILES for copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate is O=S(=O)([O-])c1ccc([O-])c(/N=N/c2ccc(O)c(/N=N/c3ccc(/C=C/c4ccc(/N=N/c5ccc(/N=N/c6ccccc6S(=O)(=O)[O-])c(S(=O)(=O)[O-])c5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)c2[O-])c1.[Cu+2].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate?
The InChIKey is ICHHWMRNZXWRBP-WMUYYQMNSA-G. The full InChI is InChI=1S/C38H28N8O18S5.Cu.4Na/c47-31-15-12-26(65(50,51)52)20-30(31)45-44-29-14-16-32(48)37(38(29)49)46-41-24-10-8-22(35(18-24)68(59,60)61)6-5-21-7-9-23(17-34(21)67(56,57)58)39-40-25-11-13-28(36(19-25)69(62,63)64)43-42-27-3-1-2-4-33(27)66(53,54)55;;;;;/h1-20,47-49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;/q;+2;4*+1/p-7/b6-5+,40-39+,43-42+,45-44+,46-41+;;;;;.
What are the key properties of copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate?
copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate has a molecular weight of 1193.46 g/mol, XLogP of -6.09, 15 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrasodium;2-[(E)-2-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-5-[[3-sulfonato-4-[(2-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate is sourced from PubChem (CID 135993874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).