5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper

C58H43Cl2Cu2N15O9S — CID 23532495

IUPAC5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper
SMILESO=S(=O)(O)c1cc(O)c2c(/N=N/c3cccc(Nc4nc(Cl)nc(-c5ccc(CCNc6nc(Cl)nc(Nc7cccc(/N=N/c8c(Nc9ccccc9O)ccc9cccc(O)c89)c7O)n6)cc5)n4)c3O)c(Nc3ccccc3O)ccc2c1.[Cu].[Cu]
InChIInChI=1S/C58H43Cl2N15O9S.2Cu/c59-54-66-53(67-57(69-54)64-39-11-6-13-41(51(39)80)73-75-50-38(63-36-10-2-4-16-44(36)77)25-23-33-28-34(85(82,83)84)29-46(79)48(33)50)32-20-18-30(19-21-32)26-27-61-56-68-55(60)70-58(71-56)65-40-12-7-14-42(52(40)81)72-74-49-37(62-35-9-1-3-15-43(35)76)24-22-31-8-5-17-45(78)47(31)49;;/h1-25,28-29,62-63,76-81H,26-27H2,(H,82,83,84)(H,64,66,67,69)(H2,61,65,68,70,71);;/b74-72+,75-73+;;
InChIKeyHULCYIRVORWWND-SOBCVEBNSA-N
MW1324.14 g/mol
LogP14.27
Rot. Bonds18

About 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper

5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper (PubChem CID 23532495) has the molecular formula C58H43Cl2Cu2N15O9S and a molecular weight of 1324.14 g/mol. Its IUPAC name is 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper.

Molecular Properties

Compound Name5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper
PubChem CID23532495
Molecular FormulaC58H43Cl2Cu2N15O9S
Molecular Weight1324.14 g/mol
Exact Mass1321.11
IUPAC Name5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper
SMILESO=S(=O)(O)c1cc(O)c2c(/N=N/c3cccc(Nc4nc(Cl)nc(-c5ccc(CCNc6nc(Cl)nc(Nc7cccc(/N=N/c8c(Nc9ccccc9O)ccc9cccc(O)c89)c7O)n6)cc5)n4)c3O)c(Nc3ccccc3O)ccc2c1.[Cu].[Cu]
InChIInChI=1S/C58H43Cl2N15O9S.2Cu/c59-54-66-53(67-57(69-54)64-39-11-6-13-41(51(39)80)73-75-50-38(63-36-10-2-4-16-44(36)77)25-23-33-28-34(85(82,83)84)29-46(79)48(33)50)32-20-18-30(19-21-32)26-27-61-56-68-55(60)70-58(71-56)65-40-12-7-14-42(52(40)81)72-74-49-37(62-35-9-1-3-15-43(35)76)24-22-31-8-5-17-45(78)47(31)49;;/h1-25,28-29,62-63,76-81H,26-27H2,(H,82,83,84)(H,64,66,67,69)(H2,61,65,68,70,71);;/b74-72+,75-73+;;
InChIKeyHULCYIRVORWWND-SOBCVEBNSA-N
XLogP14.27
TPSA362.68 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.14
LogP ≤ 514.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper with MolForge

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Related Compounds

5-[[4-chloro-6-[4-[[4-chloro-6-[(8-hydroxy-7-phenyldiazenyl-3-sulfonaphthalen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136928837
copper;4-hydroxy-5-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-6-(2-hydroxy-5-sulfoanilino)naphthalene-2-sulfonic acid
CID 135972020
CID 137239117
CID 137239117
4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137253692
4,6-bis[[4-chloro-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid
CID 44551130
5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135730769
5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137095405
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
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 11048924
6-amino-5-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-[(4-ethenylsulfonylphenyl)diazenyl]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136988034
6-amino-5-[[4-[[4-chloro-6-(4-methylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136634101
2-[[8-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-6-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid
CID 136506832

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper?
The IUPAC name of 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper (CID 23532495) is 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper.
What is the SMILES notation for 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper?
The canonical SMILES for 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper is O=S(=O)(O)c1cc(O)c2c(/N=N/c3cccc(Nc4nc(Cl)nc(-c5ccc(CCNc6nc(Cl)nc(Nc7cccc(/N=N/c8c(Nc9ccccc9O)ccc9cccc(O)c89)c7O)n6)cc5)n4)c3O)c(Nc3ccccc3O)ccc2c1.[Cu].[Cu].
What is the InChIKey of 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper?
The InChIKey is HULCYIRVORWWND-SOBCVEBNSA-N. The full InChI is InChI=1S/C58H43Cl2N15O9S.2Cu/c59-54-66-53(67-57(69-54)64-39-11-6-13-41(51(39)80)73-75-50-38(63-36-10-2-4-16-44(36)77)25-23-33-28-34(85(82,83)84)29-46(79)48(33)50)32-20-18-30(19-21-32)26-27-61-56-68-55(60)70-58(71-56)65-40-12-7-14-42(52(40)81)72-74-49-37(62-35-9-1-3-15-43(35)76)24-22-31-8-5-17-45(78)47(31)49;;/h1-25,28-29,62-63,76-81H,26-27H2,(H,82,83,84)(H,64,66,67,69)(H2,61,65,68,70,71);;/b74-72+,75-73+;;.
What are the key properties of 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper?
5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper has a molecular weight of 1324.14 g/mol, XLogP of 14.27, 18 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[4-chloro-6-[4-[2-[[4-chloro-6-[2-hydroxy-3-[[8-hydroxy-2-(2-hydroxyanilino)naphthalen-1-yl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]diazenyl]-4-hydroxy-6-(2-hydroxyanilino)naphthalene-2-sulfonic acid;copper is sourced from PubChem (CID 23532495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).