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

C25H26N4O3P2S2+2 — CID 58875580

IUPAC(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
SMILESC=Cc1ccc(O[P+](=S)N(C)/N=C/c2ccc(O[P+](=S)N(C)/N=C/c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H26N4O3P2S2/c1-5-20-6-14-24(15-7-20)31-33(35)29(3)27-19-22-10-16-25(17-11-22)32-34(36)28(2)26-18-21-8-12-23(30-4)13-9-21/h5-19H,1H2,2-4H3/q+2/b26-18+,27-19+
InChIKeyAHDSNHQFVYTQEJ-BFNWXZRRSA-N
MW556.59 g/mol
LogP6.58
Rot. Bonds12

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

(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium (PubChem CID 58875580) has the molecular formula C25H26N4O3P2S2+2 and a molecular weight of 556.59 g/mol. Its IUPAC name is (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium.

Molecular Properties

Compound Name(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
PubChem CID58875580
Molecular FormulaC25H26N4O3P2S2+2
Molecular Weight556.59 g/mol
Exact Mass556.09
IUPAC Name(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
SMILESC=Cc1ccc(O[P+](=S)N(C)/N=C/c2ccc(O[P+](=S)N(C)/N=C/c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H26N4O3P2S2/c1-5-20-6-14-24(15-7-20)31-33(35)29(3)27-19-22-10-16-25(17-11-22)32-34(36)28(2)26-18-21-8-12-23(30-4)13-9-21/h5-19H,1H2,2-4H3/q+2/b26-18+,27-19+
InChIKeyAHDSNHQFVYTQEJ-BFNWXZRRSA-N
XLogP6.58
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.59
LogP ≤ 56.58
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'}

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

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Related Compounds

CID 6861420
CID 6861420
CID 9575478
CID 9575478
CID 6891506
CID 6891506
CID 224431
CID 224431
CID 2061047
CID 2061047
CID 264083
CID 264083
CID 94768
CID 94768
CID 54753081
CID 54753081
CID 54606181
CID 54606181
CID 260229
CID 260229
CID 11371070
CID 11371070
CID 5338010
CID 5338010

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
The IUPAC name of (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium (CID 58875580) is (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium.
What is the SMILES notation for (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
The canonical SMILES for (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium is C=Cc1ccc(O[P+](=S)N(C)/N=C/c2ccc(O[P+](=S)N(C)/N=C/c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
The InChIKey is AHDSNHQFVYTQEJ-BFNWXZRRSA-N. The full InChI is InChI=1S/C25H26N4O3P2S2/c1-5-20-6-14-24(15-7-20)31-33(35)29(3)27-19-22-10-16-25(17-11-22)32-34(36)28(2)26-18-21-8-12-23(30-4)13-9-21/h5-19H,1H2,2-4H3/q+2/b26-18+,27-19+.
What are the key properties of (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium?
(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium has a molecular weight of 556.59 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium is sourced from PubChem (CID 58875580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).