copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)

C44H21Cl2Cu2N13Na6O23S6- — CID 170842296

IUPACcopper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)
SMILESNc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(S(=O)(=O)[O-])ccc4[O-])c([O-])c23)n1.O=S(=O)([O-])c1ccc([O-])c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(Oc5ccccc5)n4)c3c2[O-])c1.[Cu+2].[Cu+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C25H17ClN6O12S3.C19H14ClN7O11S3.2Cu.6Na/c26-23-28-24(30-25(29-23)44-13-4-2-1-3-5-13)27-17-11-15(46(38,39)40)8-12-9-19(47(41,42)43)21(22(34)20(12)17)32-31-16-10-14(45(35,36)37)6-7-18(16)33;20-17-23-18(21)25-19(24-17)22-11-6-9(40(33,34)35)3-7-4-13(41(36,37)38)15(16(29)14(7)11)27-26-10-5-8(39(30,31)32)1-2-12(10)28;;;;;;;;/h1-11,33-34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,30);1-6,28-29H,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;;;;/q;;+1;+2;6*+1/p-10/b32-31+;27-26+;;;;;;;;
InChIKeyLVDQVRILDAKURU-USSDTHNCSA-D
MW1628.06 g/mol
LogP-15.21
Rot. Bonds16

About copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)

copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+) (PubChem CID 170842296) has the molecular formula C44H21Cl2Cu2N13Na6O23S6- and a molecular weight of 1628.06 g/mol. Its IUPAC name is copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+).

Molecular Properties

Compound Namecopper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)
PubChem CID170842296
Molecular FormulaC44H21Cl2Cu2N13Na6O23S6-
Molecular Weight1628.06 g/mol
Exact Mass1624.66
IUPAC Namecopper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)
SMILESNc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(S(=O)(=O)[O-])ccc4[O-])c([O-])c23)n1.O=S(=O)([O-])c1ccc([O-])c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(Oc5ccccc5)n4)c3c2[O-])c1.[Cu+2].[Cu+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C25H17ClN6O12S3.C19H14ClN7O11S3.2Cu.6Na/c26-23-28-24(30-25(29-23)44-13-4-2-1-3-5-13)27-17-11-15(46(38,39)40)8-12-9-19(47(41,42)43)21(22(34)20(12)17)32-31-16-10-14(45(35,36)37)6-7-18(16)33;20-17-23-18(21)25-19(24-17)22-11-6-9(40(33,34)35)3-7-4-13(41(36,37)38)15(16(29)14(7)11)27-26-10-5-8(39(30,31)32)1-2-12(10)28;;;;;;;;/h1-11,33-34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,30);1-6,28-29H,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;;;;/q;;+1;+2;6*+1/p-10/b32-31+;27-26+;;;;;;;;
InChIKeyLVDQVRILDAKURU-USSDTHNCSA-D
XLogP-15.21
TPSA621.53 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001628.06
LogP ≤ 5-15.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+) with MolForge

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Related Compounds

tetrasodium;bis(5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate);cobalt(3+);hydron
CID 165339958
tetrasodium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-3-[(5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate;4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate;cobalt(3+)
CID 170845052
tetrasodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(1-sulfo-5-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
CID 101285665
tetrasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-hydroxy-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate;copper
CID 146157267
disodium;4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-6-[(4-methoxyphenyl)diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102269320
trisodium;5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135755743
trisodium;4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-6-[(4-methyl-2-sulfonatophenyl)diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102090542
hexasodium;2-[[8-[[4-[3-[4-[3-[[4-[[7-[(2-carboxylatophenyl)diazenyl]-8-oxido-6-sulfo-3-sulfonatonaphthalen-1-yl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]propoxy]butoxy]propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-oxido-3-sulfo-6-sulfonatonaphthalen-2-yl]diazenyl]benzoate
CID 101151132
trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 171391243
tripotassium;trisodium;bis(5-[(2-chloro-6-oxo-1H-1,3,5-triazin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate)
CID 136633663
5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136703984
pentasodium;5-amino-3-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl]diazenyl]-6-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
CID 135755626

Frequently Asked Questions

What is the IUPAC name of copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)?
The IUPAC name of copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+) (CID 170842296) is copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+).
What is the SMILES notation for copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)?
The canonical SMILES for copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+) is Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(S(=O)(=O)[O-])ccc4[O-])c([O-])c23)n1.O=S(=O)([O-])c1ccc([O-])c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(Oc5ccccc5)n4)c3c2[O-])c1.[Cu+2].[Cu+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)?
The InChIKey is LVDQVRILDAKURU-USSDTHNCSA-D. The full InChI is InChI=1S/C25H17ClN6O12S3.C19H14ClN7O11S3.2Cu.6Na/c26-23-28-24(30-25(29-23)44-13-4-2-1-3-5-13)27-17-11-15(46(38,39)40)8-12-9-19(47(41,42)43)21(22(34)20(12)17)32-31-16-10-14(45(35,36)37)6-7-18(16)33;20-17-23-18(21)25-19(24-17)22-11-6-9(40(33,34)35)3-7-4-13(41(36,37)38)15(16(29)14(7)11)27-26-10-5-8(39(30,31)32)1-2-12(10)28;;;;;;;;/h1-11,33-34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,30);1-6,28-29H,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;;;;/q;;+1;+2;6*+1/p-10/b32-31+;27-26+;;;;;;;;.
What are the key properties of copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+)?
copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+) has a molecular weight of 1628.06 g/mol, XLogP of -15.21, 16 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hexasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;5-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;copper(1+) is sourced from PubChem (CID 170842296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).