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

C38H19Cl2CoN16Na4O20S4 — CID 165339958

About 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

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 (PubChem CID 165339958) has the molecular formula C38H19Cl2CoN16Na4O20S4 and a molecular weight of 1369.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 165339958
• Molecular Formula: C38H19Cl2CoN16Na4O20S4
• Molecular Weight: 1369.73 g/mol
• Exact Mass: 1367.81
• IUPAC Name: 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
• SMILES: Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc([N+](=O)[O-])ccc4[O-])c([O-])c23)n1.Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc([N+](=O)[O-])ccc4[O-])c([O-])c23)n1.[Co+3].[H+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/2C19H13ClN8O10S2.Co.4Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;/q;;+3;4*+1/p-7/b2*27-26+
• InChIKey: ZOZUUGAPJWWRJU-KFKLQTDTSA-G
• XLogP: -9.31
• TPSA: 610.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.73
LogP ≤ 5	-9.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc([N+](=O)[O-])ccc4[O-])c([O-])c23)n1.Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc([N+](=O)[O-])ccc4[O-])c([O-])c23)n1.[Co+3].[H+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of 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?

The InChIKey is ZOZUUGAPJWWRJU-KFKLQTDTSA-G. The full InChI is InChI=1S/2C19H13ClN8O10S2.Co.4Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;/q;;+3;4*+1/p-7/b2*27-26+;;;;;.

What are the key properties of 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?

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 has a molecular weight of 1369.73 g/mol, XLogP of -9.31, 14 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 165339958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).