disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate

C32H23N9Na2O7S2 — CID 53428413

IUPACdisodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate
SMILESNc1ccc(/N=N/c2ccc3c(c2)C(=O)C(=NNc2ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)[O-])cc45)cc2)C(S(=O)(=O)[O-])=C3)c(N)c1.[Na+].[Na+]
InChIInChI=1S/C32H25N9O7S2.2Na/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45;;/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-36+,40-38+,41-31?;;
InChIKeyORUGDTBRDNUYBB-BLIIGQTGSA-L
MW755.71 g/mol
LogP-0.12
Rot. Bonds8

About disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate

disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate (PubChem CID 53428413) has the molecular formula C32H23N9Na2O7S2 and a molecular weight of 755.71 g/mol. Its IUPAC name is disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate
PubChem CID53428413
Molecular FormulaC32H23N9Na2O7S2
Molecular Weight755.71 g/mol
Exact Mass755.10
IUPAC Namedisodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate
SMILESNc1ccc(/N=N/c2ccc3c(c2)C(=O)C(=NNc2ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)[O-])cc45)cc2)C(S(=O)(=O)[O-])=C3)c(N)c1.[Na+].[Na+]
InChIInChI=1S/C32H25N9O7S2.2Na/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45;;/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-36+,40-38+,41-31?;;
InChIKeyORUGDTBRDNUYBB-BLIIGQTGSA-L
XLogP-0.12
TPSA283.36 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.71
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate with MolForge

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Related Compounds

3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid
CID 6811642
trisodium;(3E)-6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[(2E)-2-[7-[(2,4-diaminophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-2-sulfonatoanilino]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
CID 5360195
trisodium;(3E)-6-amino-4-oxo-3-[[4-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate
CID 6454786
trisodium;6-amino-4-oxo-3-[[4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate
CID 73157491
(3E)-6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[(2,4-diaminophenyl)diazenyl]-3-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid
CID 122542894
tetrasodium;3-[[4-[[4-[2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
CID 57355016
trisodium;(3E)-5-amino-3-[[4-[4-[(2E)-2-(7-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
CID 5359720
trisodium;(3Z)-3-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonaphthalen-1-yl]hydrazinylidene]-6-[(2,4-diamino-5-sulfophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid
CID 91808909
4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
CID 6790510
trisodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
CID 57353210
trilithium;(3Z)-3-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]hydrazinylidene]-4-oxo-6-(3-sulfonatoanilino)naphthalene-2-sulfonate
CID 171377169
7-[(4-aminobenzoyl)amino]-4-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate
CID 6784974

Frequently Asked Questions

What is the IUPAC name of disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate?
The IUPAC name of disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate (CID 53428413) is disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate.
What is the SMILES notation for disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate?
The canonical SMILES for disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate is Nc1ccc(/N=N/c2ccc3c(c2)C(=O)C(=NNc2ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)[O-])cc45)cc2)C(S(=O)(=O)[O-])=C3)c(N)c1.[Na+].[Na+].
What is the InChIKey of disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate?
The InChIKey is ORUGDTBRDNUYBB-BLIIGQTGSA-L. The full InChI is InChI=1S/C32H25N9O7S2.2Na/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45;;/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-36+,40-38+,41-31?;;.
What are the key properties of disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate?
disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate has a molecular weight of 755.71 g/mol, XLogP of -0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonate is sourced from PubChem (CID 53428413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).