[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium

C24H26N4O3P2S2+2 — CID 58875579

IUPAC[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
SMILESCOc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(/C=N/N(C)[P+](=S)Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N4O3P2S2/c1-19-5-11-23(12-6-19)30-32(34)27(2)26-18-21-9-15-24(16-10-21)31-33(35)28(3)25-17-20-7-13-22(29-4)14-8-20/h5-18H,1-4H3/q+2/b25-17+,26-18+
InChIKeyDNLFWFVHLQFNLZ-RPCRKUJJSA-N
MW544.58 g/mol
LogP6.24
Rot. Bonds11

About [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium

[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium (PubChem CID 58875579) has the molecular formula C24H26N4O3P2S2+2 and a molecular weight of 544.58 g/mol. Its IUPAC name is [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium.

Molecular Properties

Compound Name[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
PubChem CID58875579
Molecular FormulaC24H26N4O3P2S2+2
Molecular Weight544.58 g/mol
Exact Mass544.09
IUPAC Name[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
SMILESCOc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(/C=N/N(C)[P+](=S)Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N4O3P2S2/c1-19-5-11-23(12-6-19)30-32(34)27(2)26-18-21-9-15-24(16-10-21)31-33(35)28(3)25-17-20-7-13-22(29-4)14-8-20/h5-18H,1-4H3/q+2/b25-17+,26-18+
InChIKeyDNLFWFVHLQFNLZ-RPCRKUJJSA-N
XLogP6.24
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.58
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?
The IUPAC name of [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium (CID 58875579) is [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium.
What is the SMILES notation for [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?
The canonical SMILES for [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium is COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(/C=N/N(C)[P+](=S)Oc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?
The InChIKey is DNLFWFVHLQFNLZ-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H26N4O3P2S2/c1-19-5-11-23(12-6-19)30-32(34)27(2)26-18-21-9-15-24(16-10-21)31-33(35)28(3)25-17-20-7-13-22(29-4)14-8-20/h5-18H,1-4H3/q+2/b25-17+,26-18+.
What are the key properties of [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium?
[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium has a molecular weight of 544.58 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[(E)-[methyl-[(4-methylphenoxy)-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium is sourced from PubChem (CID 58875579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).