[(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)

C26H20CuN7O12S3 — CID 135596656

IUPAC[(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)
SMILESNc1ccc(/N=N/c2cccc(/C(=N/[N-]c3cc(S(=O)(=O)O)ccc3C(=O)O)N/N=C3/C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C3=O)c2)cc1.[Cu+]
InChIInChI=1S/C26H21N7O12S3.Cu/c27-15-4-6-16(7-5-15)28-29-17-3-1-2-14(10-17)25(32-30-21-11-18(46(37,38)39)8-9-20(21)26(35)36)33-31-22-12-19(47(40,41)42)13-23(24(22)34)48(43,44)45;/h1-13H,(H8,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45);/q;+1/p-1
InChIKeyWSMDDEGYBKDIOW-UHFFFAOYSA-M
MW782.23 g/mol
LogP3.07
Rot. Bonds10

About [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)

[(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+) (PubChem CID 135596656) has the molecular formula C26H20CuN7O12S3 and a molecular weight of 782.23 g/mol. Its IUPAC name is [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+).

Molecular Properties

Compound Name[(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)
PubChem CID135596656
Molecular FormulaC26H20CuN7O12S3
Molecular Weight782.23 g/mol
Exact Mass780.96
IUPAC Name[(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)
SMILESNc1ccc(/N=N/c2cccc(/C(=N/[N-]c3cc(S(=O)(=O)O)ccc3C(=O)O)N/N=C3/C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C3=O)c2)cc1.[Cu+]
InChIInChI=1S/C26H21N7O12S3.Cu/c27-15-4-6-16(7-5-15)28-29-17-3-1-2-14(10-17)25(32-30-21-11-18(46(37,38)39)8-9-20(21)26(35)36)33-31-22-12-19(47(40,41)42)13-23(24(22)34)48(43,44)45;/h1-13H,(H8,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45);/q;+1/p-1
InChIKeyWSMDDEGYBKDIOW-UHFFFAOYSA-M
XLogP3.07
TPSA319.07 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.23
LogP ≤ 53.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+) with MolForge

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Related Compounds

2-[(2Z)-2-[[(2E)-2-(5-amino-6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-phenylmethylidene]hydrazinyl]-4-sulfobenzoic acid;copper
CID 135705167
2-amino-5-[(3-sulfophenyl)diazenyl]benzoic acid
CID 22706692
3-[[4-[(4-aminobenzoyl)amino]-3-methoxyphenyl]diazenyl]benzenesulfonic acid
CID 143586570
CID 170844913
CID 170844913
copper;tetrasodium;2-[[[2-[5-[[4-fluoro-6-(3-sulfonatophenyl)imino-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]imino]-6-oxo-3-sulfonatocyclohexa-1,3-dien-1-yl]hydrazinyl]-phenylmethylidene]amino]azanidyl-4-sulfonatobenzoate
CID 154735021
3-[(2,4-diaminophenyl)diazenyl]benzenesulfonic acid
CID 20764494
disodium;2-carboxy-4-[[3-[3-[(3-carboxy-4-oxidophenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenolate
CID 135409868
[[[[2-carboxy-4-(trihydroxy-λ4-sulfanyl)phenyl]diazenyl]-phenylmethylidene]amino]-(2-hydroxy-3-methyl-5-sulfophenyl)azanide;copper(1+)
CID 159638679
sodium 2-carboxy-5-sulfobenzoate
CID 23686671
3-phenyldiazenylbenzoic acid
CID 555783
4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 165363256
4-aminobenzenesulfonic acid;2-aminoterephthalic acid
CID 175797822

Frequently Asked Questions

What is the IUPAC name of [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)?
The IUPAC name of [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+) (CID 135596656) is [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+).
What is the SMILES notation for [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)?
The canonical SMILES for [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+) is Nc1ccc(/N=N/c2cccc(/C(=N/[N-]c3cc(S(=O)(=O)O)ccc3C(=O)O)N/N=C3/C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C3=O)c2)cc1.[Cu+].
What is the InChIKey of [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)?
The InChIKey is WSMDDEGYBKDIOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H21N7O12S3.Cu/c27-15-4-6-16(7-5-15)28-29-17-3-1-2-14(10-17)25(32-30-21-11-18(46(37,38)39)8-9-20(21)26(35)36)33-31-22-12-19(47(40,41)42)13-23(24(22)34)48(43,44)45;/h1-13H,(H8,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45);/q;+1/p-1.
What are the key properties of [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+)?
[(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+) has a molecular weight of 782.23 g/mol, XLogP of 3.07, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[[3-[(4-aminophenyl)diazenyl]phenyl]-[(2Z)-2-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]methylidene]amino]-(2-carboxy-5-sulfophenyl)azanide;copper(1+) is sourced from PubChem (CID 135596656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).