dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate

C32H16Cu2N6Na4O16S4 — CID 24832073

IUPACdicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate
SMILESNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(N)c6c5[O-])c([O-])c4)cc3[O-])c([O-])c12.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35+,38-36+;;;;;;
InChIKeyGWEZPAIPHHUMTI-ZBJMQJRBSA-F
MW1087.83 g/mol
LogP-10.42
Rot. Bonds9

About dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate

dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate (PubChem CID 24832073) has the molecular formula C32H16Cu2N6Na4O16S4 and a molecular weight of 1087.83 g/mol. Its IUPAC name is dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate.

Molecular Properties

Compound Namedicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate
PubChem CID24832073
Molecular FormulaC32H16Cu2N6Na4O16S4
Molecular Weight1087.83 g/mol
Exact Mass1085.77
IUPAC Namedicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate
SMILESNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(N)c6c5[O-])c([O-])c4)cc3[O-])c([O-])c12.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35+,38-36+;;;;;;
InChIKeyGWEZPAIPHHUMTI-ZBJMQJRBSA-F
XLogP-10.42
TPSA422.52 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.83
LogP ≤ 5-10.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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 dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

C.I. Direct Blue 14
CID 6296
Trypan blue
CID 4407718
Sodium 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
CID 135903069
Diamineblue
CID 135421783
Tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-oxido-3-sulfo-6-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 101417452
Direct blue 14 solution
CID 156592306
Trypan Blue, Vetec(TM) reagent grade
CID 135442966
C.I. Direct Blue 53
CID 9409
Diphenyl Blue
CID 137122314
C34H24N6Na4O14S4----
CID 175688152
C.I. Direct Black 19
CID 135422073
Direct Blue 218
CID 34237

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate?
The IUPAC name of dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate (CID 24832073) is dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate.
What is the SMILES notation for dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate?
The canonical SMILES for dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate is Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(N)c6c5[O-])c([O-])c4)cc3[O-])c([O-])c12.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate?
The InChIKey is GWEZPAIPHHUMTI-ZBJMQJRBSA-F. The full InChI is InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35+,38-36+;;;;;;.
What are the key properties of dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate?
dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate has a molecular weight of 1087.83 g/mol, XLogP of -10.42, 9 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate is sourced from PubChem (CID 24832073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).