[4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten

C18H23N7O2P5SW2- — CID 140625751

IUPAC[4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten
SMILES[CH2-]N([CH2-])CCc1ccc(O[P+](=S)N(C)/N=C/c2ccc(O/P=N/N=N/N=P/PP)cc2)cc1.[W].[W]
InChIInChI=1S/C18H23N7O2P5S.2W/c1-24(2)13-12-15-4-10-18(11-5-15)27-32(33)25(3)19-14-16-6-8-17(9-7-16)26-29-22-20-21-23-30-31-28;;/h4-11,14,31H,1-2,12-13,28H2,3H3;;/q-1;;/b19-14+,21-20+;;
InChIKeyAVAFZSRESTZGFC-VEYSKJJSSA-N
MW924.05 g/mol
LogP7.45
Rot. Bonds13

About [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten

[4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten (PubChem CID 140625751) has the molecular formula C18H23N7O2P5SW2- and a molecular weight of 924.05 g/mol. Its IUPAC name is [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten.

Molecular Properties

Compound Name[4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten
PubChem CID140625751
Molecular FormulaC18H23N7O2P5SW2-
Molecular Weight924.05 g/mol
Exact Mass923.93
IUPAC Name[4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten
SMILES[CH2-]N([CH2-])CCc1ccc(O[P+](=S)N(C)/N=C/c2ccc(O/P=N/N=N/N=P/PP)cc2)cc1.[W].[W]
InChIInChI=1S/C18H23N7O2P5S.2W/c1-24(2)13-12-15-4-10-18(11-5-15)27-32(33)25(3)19-14-16-6-8-17(9-7-16)26-29-22-20-21-23-30-31-28;;/h4-11,14,31H,1-2,12-13,28H2,3H3;;/q-1;;/b19-14+,21-20+;;
InChIKeyAVAFZSRESTZGFC-VEYSKJJSSA-N
XLogP7.45
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.05
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558263
disodium;[2-[4-[[[(E)-[4-bis(phosphanyl)phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate
CID 59400991
[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium;(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 172973930
[[[4-[azido(phosphanyl)phosphanyl]phosphanyloxyphenyl]methylideneamino]-methylamino]-[4-[[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]methyliminophosphanyl]phenoxy]-sulfanylidenephosphanium;1,1'-biphenyl
CID 90931812
[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558277
[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-[4-[[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 172927591
[4-[dimethoxyphosphoryl(hydroxy)methyl]phenoxy]-[[(Z)-[4-[[[(Z)-[4-[[[(Z)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 90931100
[[[4-[[[(4-azidooxyphenyl)methylideneamino]-methylamino]methoxy]phenyl]-diphenyl-λ5-phosphanylidene]amino]-[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]-sulfanylidenephosphanium
CID 158324030
[4-[bis(trimethylsilyloxy)phosphoryl-[methyl(trimethylsilyl)amino]methyl]phenoxy]-[[(Z)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 91401996
disodium;[butyl-[[hydroxy(oxido)phosphoryl]-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]amino]methyl-hydroxyphosphinate
CID 59558270
[4-[hydroxy(phosphono)methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-oxophosphanium
CID 59401065
[4-(hydroxymethyl)phenoxy]-[[(Z)-[4-[[[(Z)-[4-[[[(4-methoxycyclohex-2-en-1-yl)methylamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 136599042

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten?
The IUPAC name of [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten (CID 140625751) is [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten.
What is the SMILES notation for [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten?
The canonical SMILES for [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten is [CH2-]N([CH2-])CCc1ccc(O[P+](=S)N(C)/N=C/c2ccc(O/P=N/N=N/N=P/PP)cc2)cc1.[W].[W].
What is the InChIKey of [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten?
The InChIKey is AVAFZSRESTZGFC-VEYSKJJSSA-N. The full InChI is InChI=1S/C18H23N7O2P5S.2W/c1-24(2)13-12-15-4-10-18(11-5-15)27-32(33)25(3)19-14-16-6-8-17(9-7-16)26-29-22-20-21-23-30-31-28;;/h4-11,14,31H,1-2,12-13,28H2,3H3;;/q-1;;/b19-14+,21-20+;;.
What are the key properties of [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten?
[4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten has a molecular weight of 924.05 g/mol, XLogP of 7.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethanidylamino)ethyl]phenoxy]-[[(E)-[4-[(E)-(diphosphanylphosphanylidenehydrazinylidene)hydrazinylidene]phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;tungsten is sourced from PubChem (CID 140625751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).