tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper

C32H23Cu2N5Na4O16S4+4 — CID 170839245

IUPACtetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper
SMILESNc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5O)c(O)c4)cc3O)c(O)c12.[Cu].[Cu].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H23N5O16S4.2Cu.4Na/c33-20-12-18(54(42,43)44)8-17-11-27(57(51,52)53)30(32(41)28(17)20)37-35-22-5-2-15(10-25(22)39)14-1-4-21(24(38)9-14)34-36-23-6-3-16-7-19(55(45,46)47)13-26(56(48,49)50)29(16)31(23)40;;;;;;/h1-13,38-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;;/q;;;4*+1/b36-34+,37-35+;;;;;;
InChIKeyCXLHQMDZZDWPOB-CXSIAIBVSA-N
MW1080.87 g/mol
LogP-6.11
Rot. Bonds9

About tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper

tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper (PubChem CID 170839245) has the molecular formula C32H23Cu2N5Na4O16S4+4 and a molecular weight of 1080.87 g/mol. Its IUPAC name is tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper.

Molecular Properties

Compound Nametetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper
PubChem CID170839245
Molecular FormulaC32H23Cu2N5Na4O16S4+4
Molecular Weight1080.87 g/mol
Exact Mass1078.82
IUPAC Nametetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper
SMILESNc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5O)c(O)c4)cc3O)c(O)c12.[Cu].[Cu].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H23N5O16S4.2Cu.4Na/c33-20-12-18(54(42,43)44)8-17-11-27(57(51,52)53)30(32(41)28(17)20)37-35-22-5-2-15(10-25(22)39)14-1-4-21(24(38)9-14)34-36-23-6-3-16-7-19(55(45,46)47)13-26(56(48,49)50)29(16)31(23)40;;;;;;/h1-13,38-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;;/q;;;4*+1/b36-34+,37-35+;;;;;;
InChIKeyCXLHQMDZZDWPOB-CXSIAIBVSA-N
XLogP-6.11
TPSA373.86 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.87
LogP ≤ 5-6.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper with MolForge

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Related Compounds

sodium 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135421783
Trypan Blue, Vetec(TM) reagent grade
CID 135442966
CID 137180826
CID 137180826
bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron
CID 163360292
CID 137221822
CID 137221822
4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136951636
sodium 3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 135421888
[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]imino-oxidoazanium
CID 136642543
CID 137218003
CID 137218003
5-amino-3-[[4-[[5-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-4-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 170845452
4-amino-6-[[4-[4-[(8-amino-1-hydroxy-3-sulfinato-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxy-7-sulfonaphthalene-2-sulfinate
CID 136994134
4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]benzoic acid
CID 136502364

Frequently Asked Questions

What is the IUPAC name of tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper?
The IUPAC name of tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper (CID 170839245) is tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper.
What is the SMILES notation for tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper?
The canonical SMILES for tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper is Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5O)c(O)c4)cc3O)c(O)c12.[Cu].[Cu].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper?
The InChIKey is CXLHQMDZZDWPOB-CXSIAIBVSA-N. The full InChI is InChI=1S/C32H23N5O16S4.2Cu.4Na/c33-20-12-18(54(42,43)44)8-17-11-27(57(51,52)53)30(32(41)28(17)20)37-35-22-5-2-15(10-25(22)39)14-1-4-21(24(38)9-14)34-36-23-6-3-16-7-19(55(45,46)47)13-26(56(48,49)50)29(16)31(23)40;;;;;;/h1-13,38-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;;/q;;;4*+1/b36-34+,37-35+;;;;;;.
What are the key properties of tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper?
tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper has a molecular weight of 1080.87 g/mol, XLogP of -6.11, 9 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper is sourced from PubChem (CID 170839245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).