dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline

C35H24N6O4SU — CID 86573681

IUPACdioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline
SMILESO=[U+2]=O.[O-]c1cc2ccccc2cc1/C=N/NC(=S)N/N=C/c1cc2ccccc2cc1[O-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C23H18N4O2S.C12H8N2.2O.U/c28-21-11-17-7-3-1-5-15(17)9-19(21)13-24-26-23(30)27-25-14-20-10-16-6-2-4-8-18(16)12-22(20)29;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-14,28-29H,(H2,26,27,30);1-8H;;;/q;;;;+2/p-2/b24-13+,25-14+;;;;
InChIKeyCBXMDFDEBWBJII-NRRPQEGMSA-L
MW862.71 g/mol
LogP5.52
Rot. Bonds4

About dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline

dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline (PubChem CID 86573681) has the molecular formula C35H24N6O4SU and a molecular weight of 862.71 g/mol. Its IUPAC name is dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline.

Molecular Properties

Compound Namedioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline
PubChem CID86573681
Molecular FormulaC35H24N6O4SU
Molecular Weight862.71 g/mol
Exact Mass862.21
IUPAC Namedioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline
SMILESO=[U+2]=O.[O-]c1cc2ccccc2cc1/C=N/NC(=S)N/N=C/c1cc2ccccc2cc1[O-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C23H18N4O2S.C12H8N2.2O.U/c28-21-11-17-7-3-1-5-15(17)9-19(21)13-24-26-23(30)27-25-14-20-10-16-6-2-4-8-18(16)12-22(20)29;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-14,28-29H,(H2,26,27,30);1-8H;;;/q;;;;+2/p-2/b24-13+,25-14+;;;;
InChIKeyCBXMDFDEBWBJII-NRRPQEGMSA-L
XLogP5.52
TPSA154.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.71
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline with MolForge

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

Launch Full Analysis

Related Compounds

2-Hydroxy-1-naphthaldehyde 8-quinolinylhydrazone
CID 135425067
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
[1-(1,10-Phenanthrolin-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate
CID 142488001
[1-(1,10-Phenanthrolin-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 146653710
[1-(1,10-Phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridin-7-yl] trifluoromethanesulfonate
CID 171054802
copper; 3-[(E)-[[(E)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate; 1,10-phenanthroline
CID 86573627
nitrooxycerium(2+); 3-[(E)-[[(E)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate; 1,10-phenanthroline
CID 86573656
ferric; 3-[(E)-[[(E)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate; 1,10-phenanthroline
CID 86573747
cobaltous; 3-[(E)-[[(E)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate; 1,10-phenanthroline
CID 86573750
nickelous; 3-[(E)-[[(E)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate; 1,10-phenanthroline
CID 86573775
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
CID 139056035
{N'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate
CID 139082795

Frequently Asked Questions

What is the IUPAC name of dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline?
The IUPAC name of dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline (CID 86573681) is dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline.
What is the SMILES notation for dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline?
The canonical SMILES for dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline is O=[U+2]=O.[O-]c1cc2ccccc2cc1/C=N/NC(=S)N/N=C/c1cc2ccccc2cc1[O-].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline?
The InChIKey is CBXMDFDEBWBJII-NRRPQEGMSA-L. The full InChI is InChI=1S/C23H18N4O2S.C12H8N2.2O.U/c28-21-11-17-7-3-1-5-15(17)9-19(21)13-24-26-23(30)27-25-14-20-10-16-6-2-4-8-18(16)12-22(20)29;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-14,28-29H,(H2,26,27,30);1-8H;;;/q;;;;+2/p-2/b24-13+,25-14+;;;;.
What are the key properties of dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline?
dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline has a molecular weight of 862.71 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dioxouranium(2+);3-[(E)-[[(E)-(3-oxidonaphthalen-2-yl)methylideneamino]carbamothioylhydrazinylidene]methyl]naphthalen-2-olate;1,10-phenanthroline is sourced from PubChem (CID 86573681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).