copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate

C38H26CuN10Na4O17S4 — CID 170839876

IUPACcopper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
SMILESCOc1ccc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4n/c(=N\CCO)nc(Nc5ccc6c([O-])c(/N=N/c7cc(S(=O)(=O)[O-])ccc7[O-])c(S(=O)(=O)O)cc6c5)[nH]4)ccc3c2[O-])c(S(=O)(=O)[O-])c1.[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C38H32N10O17S4.Cu.4Na/c1-65-22-4-8-26(29(16-22)67(56,57)58)45-47-32-30(68(59,60)61)14-18-12-20(2-6-24(18)34(32)51)40-37-42-36(39-10-11-49)43-38(44-37)41-21-3-7-25-19(13-21)15-31(69(62,63)64)33(35(25)52)48-46-27-17-23(66(53,54)55)5-9-28(27)50;;;;;/h2-9,12-17,49-52H,10-11H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H3,39,40,41,42,43,44);;;;;/q;+2;4*+1/p-6/b47-45+,48-46+;;;;;
InChIKeyWNZZQSPTGZBDHC-FNBGXQOKSA-H
MW1178.45 g/mol
LogP-9.48
Rot. Bonds15

About copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate

copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate (PubChem CID 170839876) has the molecular formula C38H26CuN10Na4O17S4 and a molecular weight of 1178.45 g/mol. Its IUPAC name is copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate.

Molecular Properties

Compound Namecopper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
PubChem CID170839876
Molecular FormulaC38H26CuN10Na4O17S4
Molecular Weight1178.45 g/mol
Exact Mass1176.92
IUPAC Namecopper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
SMILESCOc1ccc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4n/c(=N\CCO)nc(Nc5ccc6c([O-])c(/N=N/c7cc(S(=O)(=O)[O-])ccc7[O-])c(S(=O)(=O)O)cc6c5)[nH]4)ccc3c2[O-])c(S(=O)(=O)[O-])c1.[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C38H32N10O17S4.Cu.4Na/c1-65-22-4-8-26(29(16-22)67(56,57)58)45-47-32-30(68(59,60)61)14-18-12-20(2-6-24(18)34(32)51)40-37-42-36(39-10-11-49)43-38(44-37)41-21-3-7-25-19(13-21)15-31(69(62,63)64)33(35(25)52)48-46-27-17-23(66(53,54)55)5-9-28(27)50;;;;;/h2-9,12-17,49-52H,10-11H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H3,39,40,41,42,43,44);;;;;/q;+2;4*+1/p-6/b47-45+,48-46+;;;;;
InChIKeyWNZZQSPTGZBDHC-FNBGXQOKSA-H
XLogP-9.48
TPSA452.04 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001178.45
LogP ≤ 5-9.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

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 copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate with MolForge

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Related Compounds

dicopper;7-[[4-(2-hydroxyethylamino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
CID 165362990
trisodium;7-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 102240231
pentasodium;2-[[6-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-1-oxido-3-sulfonaphthalen-2-yl]diazenyl]-4-methoxy-5-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 102374743
potassium;sodium;2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonaphthalen-2-yl]diazenyl]-5-methylbenzenesulfonate
CID 170846467
trisodium;2-[[5-methoxy-2-methyl-4-[[6-(methylamino)-1-oxido-3-sulfonaphthalen-2-yl]diazenyl]phenyl]diazenyl]benzene-1,4-disulfonate
CID 102269757
6-[[6-[[6-[(3-methoxyphenyl)diazenyl]-5-oxido-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxido-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-2-sulfonate
CID 139031803
trisodium;4-[[6-[[6-[(2-methoxyphenyl)methyldiazenyl]-5-oxido-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxido-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1-sulfonate
CID 170843105
4-hydroxy-5-[[4-[[4-(2-hydroxyethylimino)-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-ylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136705080
trisodium;5-methoxy-4-[[6-[[6-[(2-methoxyphenyl)diazenyl]-5-oxido-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxido-3-sulfonaphthalen-2-yl]diazenyl]-2-methylbenzenesulfonate
CID 102269073
7-anilino-4-hydroxy-3-[[2-hydroxy-5-methoxy-4-[(4-methoxy-2-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137280015
CID 170840412
CID 170840412
disodium;5-hydroxy-7-sulfo-6-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
CID 136882093

Frequently Asked Questions

What is the IUPAC name of copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate?
The IUPAC name of copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate (CID 170839876) is copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate.
What is the SMILES notation for copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate?
The canonical SMILES for copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate is COc1ccc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4n/c(=N\CCO)nc(Nc5ccc6c([O-])c(/N=N/c7cc(S(=O)(=O)[O-])ccc7[O-])c(S(=O)(=O)O)cc6c5)[nH]4)ccc3c2[O-])c(S(=O)(=O)[O-])c1.[Cu+2].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate?
The InChIKey is WNZZQSPTGZBDHC-FNBGXQOKSA-H. The full InChI is InChI=1S/C38H32N10O17S4.Cu.4Na/c1-65-22-4-8-26(29(16-22)67(56,57)58)45-47-32-30(68(59,60)61)14-18-12-20(2-6-24(18)34(32)51)40-37-42-36(39-10-11-49)43-38(44-37)41-21-3-7-25-19(13-21)15-31(69(62,63)64)33(35(25)52)48-46-27-17-23(66(53,54)55)5-9-28(27)50;;;;;/h2-9,12-17,49-52H,10-11H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H3,39,40,41,42,43,44);;;;;/q;+2;4*+1/p-6/b47-45+,48-46+;;;;;.
What are the key properties of copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate?
copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate has a molecular weight of 1178.45 g/mol, XLogP of -9.48, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrasodium;7-[[4-(2-hydroxyethylimino)-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1H-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate is sourced from PubChem (CID 170839876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).