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+)

C40H21Cl2CoN14Na4O22S4 — CID 170845052

IUPACtetrasodium;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+)
SMILESCOc1nc(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.COc1nc(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].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C20H14ClN7O11S2.Co.4Na/c2*1-39-20-24-18(21)23-19(25-20)22-12-7-10(40(33,34)35)4-8-5-14(41(36,37)38)16(17(30)15(8)12)27-26-11-6-9(28(31)32)2-3-13(11)29;;;;;/h2*2-7,29-30H,1H3,(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;;;/q;;+3;4*+1/p-7/b2*27-26+;;;;;
InChIKeyJSSAOLWMZBLWMP-KFKLQTDTSA-G
MW1399.75 g/mol
LogP-8.23
Rot. Bonds16

About 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+)

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+) (PubChem CID 170845052) has the molecular formula C40H21Cl2CoN14Na4O22S4 and a molecular weight of 1399.75 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Nametetrasodium;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+)
PubChem CID170845052
Molecular FormulaC40H21Cl2CoN14Na4O22S4
Molecular Weight1399.75 g/mol
Exact Mass1397.81
IUPAC Nametetrasodium;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+)
SMILESCOc1nc(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.COc1nc(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].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C20H14ClN7O11S2.Co.4Na/c2*1-39-20-24-18(21)23-19(25-20)22-12-7-10(40(33,34)35)4-8-5-14(41(36,37)38)16(17(30)15(8)12)27-26-11-6-9(28(31)32)2-3-13(11)29;;;;;/h2*2-7,29-30H,1H3,(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;;;/q;;+3;4*+1/p-7/b2*27-26+;;;;;
InChIKeyJSSAOLWMZBLWMP-KFKLQTDTSA-G
XLogP-8.23
TPSA573.79 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001399.75
LogP ≤ 5-8.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

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'}

Analyze 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+) 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
disodium;4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-6-[(4-methoxyphenyl)diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102269320
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
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
trisodium;4-acetamido-6-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]phenyl]diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 170845985
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
5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 136694630
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
5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136694633
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
disodium;4-(4,6-dichloro-1,3,5-triazin-2-yl)-6-[(4-methoxyphenyl)diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102047005
trisodium;5-[[4-chloro-6-[1-[(4,6-dichloro-5-cyanopyrimidin-2-yl)amino]propan-2-ylamino]-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
CID 102208358

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is COc1nc(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.COc1nc(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].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of 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+)?
The InChIKey is JSSAOLWMZBLWMP-KFKLQTDTSA-G. The full InChI is InChI=1S/2C20H14ClN7O11S2.Co.4Na/c2*1-39-20-24-18(21)23-19(25-20)22-12-7-10(40(33,34)35)4-8-5-14(41(36,37)38)16(17(30)15(8)12)27-26-11-6-9(28(31)32)2-3-13(11)29;;;;;/h2*2-7,29-30H,1H3,(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;;;/q;;+3;4*+1/p-7/b2*27-26+;;;;;.
What are the key properties of 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+)?
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+) has a molecular weight of 1399.75 g/mol, XLogP of -8.23, 16 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 170845052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).