disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate

C34H24N4Na2O10S2 — CID 5359718

IUPACdisodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate
SMILESCOc1cc(-c2ccc(N/N=C3\C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N/N=C1/C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Na+].[Na+]
InChIInChI=1S/C34H26N4O10S2.2Na/c1-47-29-15-19(11-13-25(29)35-37-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)39)20-12-14-26(30(16-20)48-2)36-38-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)40;;/h3-18,35-36H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-27-,38-28+;;
InChIKeyFJCLABNSNOPCBX-VPHRWSHRSA-L
MW758.70 g/mol
LogP-1.52
Rot. Bonds9

About disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate

disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate (PubChem CID 5359718) has the molecular formula C34H24N4Na2O10S2 and a molecular weight of 758.70 g/mol. Its IUPAC name is disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate.

Molecular Properties

Compound Namedisodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate
PubChem CID5359718
Molecular FormulaC34H24N4Na2O10S2
Molecular Weight758.70 g/mol
Exact Mass758.07
IUPAC Namedisodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate
SMILESCOc1cc(-c2ccc(N/N=C3\C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N/N=C1/C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Na+].[Na+]
InChIInChI=1S/C34H26N4O10S2.2Na/c1-47-29-15-19(11-13-25(29)35-37-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)39)20-12-14-26(30(16-20)48-2)36-38-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)40;;/h3-18,35-36H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-27-,38-28+;;
InChIKeyFJCLABNSNOPCBX-VPHRWSHRSA-L
XLogP-1.52
TPSA215.78 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.70
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate?
The IUPAC name of disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate (CID 5359718) is disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate.
What is the SMILES notation for disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate?
The canonical SMILES for disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate is COc1cc(-c2ccc(N/N=C3\C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N/N=C1/C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Na+].[Na+].
What is the InChIKey of disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate?
The InChIKey is FJCLABNSNOPCBX-VPHRWSHRSA-L. The full InChI is InChI=1S/C34H26N4O10S2.2Na/c1-47-29-15-19(11-13-25(29)35-37-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)39)20-12-14-26(30(16-20)48-2)36-38-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)40;;/h3-18,35-36H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-27-,38-28+;;.
What are the key properties of disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate?
disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate has a molecular weight of 758.70 g/mol, XLogP of -1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(3E)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate is sourced from PubChem (CID 5359718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).