tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper

C35H23Cl2Cu2N9Na4O16S4+4 — CID 170841020

IUPACtetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper
SMILESO=S(=O)(O)c1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Nc5ccc6c(O)c(/N=N/c7cc(S(=O)(=O)O)cc(Cl)c7O)c(S(=O)(=O)O)cc6c5)n4)ccc3c2O)c1.[Cu].[Cu].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C35H23Cl2N9O16S4.2Cu.4Na/c36-22-11-19(64(54,55)56)13-24(32(22)50)44-46-29-27(66(60,61)62)10-15-8-17(2-5-21(15)31(29)49)39-35-41-33(37)40-34(42-35)38-16-1-4-20-14(7-16)9-26(65(57,58)59)28(30(20)48)45-43-23-12-18(63(51,52)53)3-6-25(23)47;;;;;;/h1-13,47-50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H2,38,39,40,41,42);;;;;;/q;;;4*+1/b45-43+,46-44+;;;;;;
InChIKeyMXWJEMPEJARHBA-RSEBNOETSA-N
MW1243.84 g/mol
LogP-4.38
Rot. Bonds12

About tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper

tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper (PubChem CID 170841020) has the molecular formula C35H23Cl2Cu2N9Na4O16S4+4 and a molecular weight of 1243.84 g/mol. Its IUPAC name is tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper.

Molecular Properties

Compound Nametetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper
PubChem CID170841020
Molecular FormulaC35H23Cl2Cu2N9Na4O16S4+4
Molecular Weight1243.84 g/mol
Exact Mass1240.77
IUPAC Nametetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper
SMILESO=S(=O)(O)c1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Nc5ccc6c(O)c(/N=N/c7cc(S(=O)(=O)O)cc(Cl)c7O)c(S(=O)(=O)O)cc6c5)n4)ccc3c2O)c1.[Cu].[Cu].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C35H23Cl2N9O16S4.2Cu.4Na/c36-22-11-19(64(54,55)56)13-24(32(22)50)44-46-29-27(66(60,61)62)10-15-8-17(2-5-21(15)31(29)49)39-35-41-33(37)40-34(42-35)38-16-1-4-20-14(7-16)9-26(65(57,58)59)28(30(20)48)45-43-23-12-18(63(51,52)53)3-6-25(23)47;;;;;;/h1-13,47-50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H2,38,39,40,41,42);;;;;;/q;;;4*+1/b45-43+,46-44+;;;;;;
InChIKeyMXWJEMPEJARHBA-RSEBNOETSA-N
XLogP-4.38
TPSA410.57 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.84
LogP ≤ 5-4.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

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 tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper with MolForge

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Related Compounds

4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 163411937
3-[[3-[[4-chloro-6-(4-methylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 135970861
2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid
CID 135466409
CID 131883295
CID 131883295
tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper
CID 170840795
trisodium;copper;4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonic acid
CID 170846876
7-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-methyl-3-[(2-methyl-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88884189
7-[[4-chloro-6-[4-(diethylcarbamoyl)-2-methylanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136683298
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136857527
3-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-1,8-disulfonic acid
CID 170840308
7-[[6-[(3-chloro-2-hydroxyphenyl)diazenyl]-5-methoxynaphthalen-2-yl]amino]-3-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-4-methoxynaphthalene-2-sulfonic acid
CID 137002050
5-amino-3-[[5-[[4,6-bis(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-chloro-6-(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 177460697

Frequently Asked Questions

What is the IUPAC name of tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper?
The IUPAC name of tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper (CID 170841020) is tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper.
What is the SMILES notation for tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper?
The canonical SMILES for tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper is O=S(=O)(O)c1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Nc5ccc6c(O)c(/N=N/c7cc(S(=O)(=O)O)cc(Cl)c7O)c(S(=O)(=O)O)cc6c5)n4)ccc3c2O)c1.[Cu].[Cu].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper?
The InChIKey is MXWJEMPEJARHBA-RSEBNOETSA-N. The full InChI is InChI=1S/C35H23Cl2N9O16S4.2Cu.4Na/c36-22-11-19(64(54,55)56)13-24(32(22)50)44-46-29-27(66(60,61)62)10-15-8-17(2-5-21(15)31(29)49)39-35-41-33(37)40-34(42-35)38-16-1-4-20-14(7-16)9-26(65(57,58)59)28(30(20)48)45-43-23-12-18(63(51,52)53)3-6-25(23)47;;;;;;/h1-13,47-50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H2,38,39,40,41,42);;;;;;/q;;;4*+1/b45-43+,46-44+;;;;;;.
What are the key properties of tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper?
tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper has a molecular weight of 1243.84 g/mol, XLogP of -4.38, 12 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;7-[[4-chloro-6-[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper is sourced from PubChem (CID 170841020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).