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

C23H12ClCuN7Na4O14S4 — CID 146157267

About 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

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 (PubChem CID 146157267) has the molecular formula C23H12ClCuN7Na4O14S4 and a molecular weight of 929.61 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 146157267
• Molecular Formula: C23H12ClCuN7Na4O14S4
• Molecular Weight: 929.61 g/mol
• Exact Mass: 927.79
• IUPAC Name: 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
• SMILES: Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N\c4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4O)c(O)c23)n1.[Cu].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C23H16ClN7O14S4.Cu.4Na/c24-21-27-22(25)29-23(28-21)26-11-6-9(46(34,35)36)4-8-5-15(49(43,44)45)18(20(33)16(8)11)31-30-12-7-14(48(40,41)42)10-2-1-3-13(47(37,38)39)17(10)19(12)32;;;;;/h1-7,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29);;;;;/q;;4*+1/p-4/b31-30-
• InChIKey: BZDPMNMLCLKSIT-BVLIQGHOSA-J
• XLogP: -10.39
• TPSA: 370.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.61
LogP ≤ 5	-10.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N\c4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4O)c(O)c23)n1.[Cu].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of 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?

The InChIKey is BZDPMNMLCLKSIT-BVLIQGHOSA-J. The full InChI is InChI=1S/C23H16ClN7O14S4.Cu.4Na/c24-21-27-22(25)29-23(28-21)26-11-6-9(46(34,35)36)4-8-5-15(49(43,44)45)18(20(33)16(8)11)31-30-12-7-14(48(40,41)42)10-2-1-3-13(47(37,38)39)17(10)19(12)32;;;;;/h1-7,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29);;;;;/q;;4*+1/p-4/b31-30-;;;;;.

What are the key properties of 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?

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 has a molecular weight of 929.61 g/mol, XLogP of -10.39, 8 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 146157267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).