(4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium

C24H24N4O4P2S2+2 — CID 59558285

IUPAC(4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
SMILESCOc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(/C=N/N(C)[P+](=S)Oc3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C24H24N4O4P2S2/c1-27(25-16-19-4-10-22(30-3)11-5-19)33(35)31-23-12-6-20(7-13-23)17-26-28(2)34(36)32-24-14-8-21(18-29)9-15-24/h4-18H,1-3H3/q+2/b25-16+,26-17+
InChIKeyLVDGEKNMBHVYFZ-ZZZAPRPPSA-N
MW558.56 g/mol
LogP5.74
Rot. Bonds12

About (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium

(4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium (PubChem CID 59558285) has the molecular formula C24H24N4O4P2S2+2 and a molecular weight of 558.56 g/mol. Its IUPAC name is (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium.

Molecular Properties

Compound Name(4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
PubChem CID59558285
Molecular FormulaC24H24N4O4P2S2+2
Molecular Weight558.56 g/mol
Exact Mass558.07
IUPAC Name(4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
SMILESCOc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(/C=N/N(C)[P+](=S)Oc3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C24H24N4O4P2S2/c1-27(25-16-19-4-10-22(30-3)11-5-19)33(35)31-23-12-6-20(7-13-23)17-26-28(2)34(36)32-24-14-8-21(18-29)9-15-24/h4-18H,1-3H3/q+2/b25-16+,26-17+
InChIKeyLVDGEKNMBHVYFZ-ZZZAPRPPSA-N
XLogP5.74
TPSA75.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium with MolForge

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Related Compounds

(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone
CID 6908452
4-[(4-formylphenoxy)-[methyl-[(E)-[4-[[2,4,4,6,6-pentakis[4-[(E)-[bis(4-formylphenoxy)phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]amino]phosphinothioyl]oxybenzaldehyde
CID 178340159
4-[[[(E)-[4-bis[4-[(E)-[bis(4-formylphenoxy)phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]phosphinothioyloxyphenyl]methylideneamino]-methylamino]-(4-formylphenoxy)phosphinothioyl]oxybenzaldehyde
CID 16179074
CID 57730603
CID 57730603
[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[[4-[(E)-[methyl-[methyl(sulfanylidene)phosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
CID 57730696
4-[[[[4-[[[(4-Methoxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-lambda5-phosphanylidene]amino]methoxy]benzaldehyde
CID 57730724
4-[[4-[(E)-(dimethylhydrazinylidene)methyl]phenoxy]methoxy]benzaldehyde
CID 57730804
[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
CID 58875579
(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 58875580
(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium
CID 59558262
(4-formylphenoxy)-[[(E)-[4-[[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558264
(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558286

Frequently Asked Questions

What is the IUPAC name of (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
The IUPAC name of (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium (CID 59558285) is (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium.
What is the SMILES notation for (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
The canonical SMILES for (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium is COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(/C=N/N(C)[P+](=S)Oc3ccc(C=O)cc3)cc2)cc1.
What is the InChIKey of (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
The InChIKey is LVDGEKNMBHVYFZ-ZZZAPRPPSA-N. The full InChI is InChI=1S/C24H24N4O4P2S2/c1-27(25-16-19-4-10-22(30-3)11-5-19)33(35)31-23-12-6-20(7-13-23)17-26-28(2)34(36)32-24-14-8-21(18-29)9-15-24/h4-18H,1-3H3/q+2/b25-16+,26-17+.
What are the key properties of (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
(4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium has a molecular weight of 558.56 g/mol, XLogP of 5.74, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium is sourced from PubChem (CID 59558285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).