trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid

C34H25Cu2N5Na3O14S3+3 — CID 170839295

IUPACtrisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid
SMILESC/C(O)=N\c1cccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cccc(S(=O)(=O)O)c6c5O)c(O)c4)cc3O)c(O)c12.[Cu].[Cu].[Na+].[Na+].[Na+]
InChIInChI=1S/C34H25N5O14S3.2Cu.3Na/c1-16(40)35-23-6-2-4-19-14-27(55(48,49)50)31(33(43)29(19)23)38-36-21-10-8-17(12-24(21)41)18-9-11-22(25(42)13-18)37-39-32-28(56(51,52)53)15-20-5-3-7-26(54(45,46)47)30(20)34(32)44;;;;;/h2-15,41-44H,1H3,(H,35,40)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;;;3*+1/b38-36+,39-37+;;;;;
InChIKeyAFQRPBZAGXCBCF-RZRFNXQKSA-N
MW1019.86 g/mol
LogP-1.33
Rot. Bonds9

About trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid

trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid (PubChem CID 170839295) has the molecular formula C34H25Cu2N5Na3O14S3+3 and a molecular weight of 1019.86 g/mol. Its IUPAC name is trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid.

Molecular Properties

Compound Nametrisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid
PubChem CID170839295
Molecular FormulaC34H25Cu2N5Na3O14S3+3
Molecular Weight1019.86 g/mol
Exact Mass1017.88
IUPAC Nametrisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid
SMILESC/C(O)=N\c1cccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cccc(S(=O)(=O)O)c6c5O)c(O)c4)cc3O)c(O)c12.[Cu].[Cu].[Na+].[Na+].[Na+]
InChIInChI=1S/C34H25N5O14S3.2Cu.3Na/c1-16(40)35-23-6-2-4-19-14-27(55(48,49)50)31(33(43)29(19)23)38-36-21-10-8-17(12-24(21)41)18-9-11-22(25(42)13-18)37-39-32-28(56(51,52)53)15-20-5-3-7-26(54(45,46)47)30(20)34(32)44;;;;;/h2-15,41-44H,1H3,(H,35,40)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;;;3*+1/b38-36+,39-37+;;;;;
InChIKeyAFQRPBZAGXCBCF-RZRFNXQKSA-N
XLogP-1.33
TPSA326.06 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.86
LogP ≤ 5-1.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid with MolForge

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Related Compounds

N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-3,6-disulfonaphthalen-1-yl]ethanimidic acid
CID 170854214
tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper
CID 170839245
CID 137179802
CID 137179802
7-anilino-3-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136703371
sodium 3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 135421888
disodium;4,5-dihydroxy-3-[(2-hydroxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid;hydride
CID 173457469
CID 137218003
CID 137218003
copper;ethane;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]-5,7-bis(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid;propane
CID 159954084
4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136880360
3-[(4-bromo-2-sulfophenyl)diazenyl]-4,5-dihydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 136806516
sodium 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135421783
5-amino-4-hydroxy-3-[(3-methylphenyl)diazenyl]-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137095404

Frequently Asked Questions

What is the IUPAC name of trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid?
The IUPAC name of trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid (CID 170839295) is trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid.
What is the SMILES notation for trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid?
The canonical SMILES for trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid is C/C(O)=N\c1cccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cccc(S(=O)(=O)O)c6c5O)c(O)c4)cc3O)c(O)c12.[Cu].[Cu].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid?
The InChIKey is AFQRPBZAGXCBCF-RZRFNXQKSA-N. The full InChI is InChI=1S/C34H25N5O14S3.2Cu.3Na/c1-16(40)35-23-6-2-4-19-14-27(55(48,49)50)31(33(43)29(19)23)38-36-21-10-8-17(12-24(21)41)18-9-11-22(25(42)13-18)37-39-32-28(56(51,52)53)15-20-5-3-7-26(54(45,46)47)30(20)34(32)44;;;;;/h2-15,41-44H,1H3,(H,35,40)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;;;3*+1/b38-36+,39-37+;;;;;.
What are the key properties of trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid?
trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid has a molecular weight of 1019.86 g/mol, XLogP of -1.33, 9 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;copper;N-[8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-6-sulfonaphthalen-1-yl]ethanimidic acid is sourced from PubChem (CID 170839295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).