dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate

C32H15Cu2N4Na3O13S3 — CID 165361201

IUPACdicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cccc(S(=O)(=O)[O-])c6c5[O-])c([O-])c4)cc3[O-])c([O-])ccc2c1.[Cu+2].[Cu+2].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H22N4O13S3.2Cu.3Na/c37-24-11-6-18-12-20(50(41,42)43)7-8-21(18)30(24)35-33-22-9-4-16(13-25(22)38)17-5-10-23(26(39)14-17)34-36-31-28(52(47,48)49)15-19-2-1-3-27(51(44,45)46)29(19)32(31)40;;;;;/h1-15,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;;/q;2*+2;3*+1/p-7/b35-33+,36-34+;;;;;
InChIKeyRTKQIULJDXMQKD-DNSVJSARSA-G
MW955.75 g/mol
LogP-5.50
Rot. Bonds8

About dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate

dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate (PubChem CID 165361201) has the molecular formula C32H15Cu2N4Na3O13S3 and a molecular weight of 955.75 g/mol. Its IUPAC name is dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate.

Molecular Properties

Compound Namedicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
PubChem CID165361201
Molecular FormulaC32H15Cu2N4Na3O13S3
Molecular Weight955.75 g/mol
Exact Mass953.81
IUPAC Namedicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cccc(S(=O)(=O)[O-])c6c5[O-])c([O-])c4)cc3[O-])c([O-])ccc2c1.[Cu+2].[Cu+2].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H22N4O13S3.2Cu.3Na/c37-24-11-6-18-12-20(50(41,42)43)7-8-21(18)30(24)35-33-22-9-4-16(13-25(22)38)17-5-10-23(26(39)14-17)34-36-31-28(52(47,48)49)15-19-2-1-3-27(51(44,45)46)29(19)32(31)40;;;;;/h1-15,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;;/q;2*+2;3*+1/p-7/b35-33+,36-34+;;;;;
InChIKeyRTKQIULJDXMQKD-DNSVJSARSA-G
XLogP-5.50
TPSA313.28 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.75
LogP ≤ 5-5.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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 dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-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

triazanium;dicopper;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 165361182
dicopper;tetrasodium;4-amino-5-oxido-6-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
CID 165361216
disodium;naphthalene-1,6-disulfonate
CID 45358177
sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
CID 165360712
aluminum 5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate
CID 171390238
6-oxido-4-sulfo-5-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 102424335
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
pentasodium;4-[[4-[(2-oxido-3-sulfo-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate
CID 102269175
disodium;3-[(2-carboxyphenyl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate
CID 136731002
bis(5-amino-3-[(4-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate);chromium(3+);hydron
CID 165361040
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992

Frequently Asked Questions

What is the IUPAC name of dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate?
The IUPAC name of dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate (CID 165361201) is dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate.
What is the SMILES notation for dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate?
The canonical SMILES for dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate is O=S(=O)([O-])c1ccc2c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cccc(S(=O)(=O)[O-])c6c5[O-])c([O-])c4)cc3[O-])c([O-])ccc2c1.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].
What is the InChIKey of dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate?
The InChIKey is RTKQIULJDXMQKD-DNSVJSARSA-G. The full InChI is InChI=1S/C32H22N4O13S3.2Cu.3Na/c37-24-11-6-18-12-20(50(41,42)43)7-8-21(18)30(24)35-33-22-9-4-16(13-25(22)38)17-5-10-23(26(39)14-17)34-36-31-28(52(47,48)49)15-19-2-1-3-27(51(44,45)46)29(19)32(31)40;;;;;/h1-15,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;;/q;2*+2;3*+1/p-7/b35-33+,36-34+;;;;;.
What are the key properties of dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate?
dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate has a molecular weight of 955.75 g/mol, XLogP of -5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate is sourced from PubChem (CID 165361201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).