azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol

C25H35N7O6P6S2+2 — CID 172974354

IUPACazido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol
SMILESCN[P+](=S)Oc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CP(=O)(OC)OC)cc2)cc1.[H]/N=C/c1ccc(O)cc1.[N-]=[N+]=NP(P)P
InChIInChI=1S/C18H24N3O5P3S2.C7H7NO.H4N3P3/c1-19-27(30)25-17-9-5-15(6-10-17)13-20-21(2)28(31)26-18-11-7-16(8-12-18)14-29(22,23-3)24-4;8-5-6-1-3-7(9)4-2-6;1-2-3-6(4)5/h5-13H,14H2,1-4H3,(H,19,30);1-5,8-9H;4-5H2/q+2;;/b20-13+;8-5+;
InChIKeyBQAXTGGSXZOEEV-CXSVHXOLSA-N
MW779.58 g/mol
LogP8.83
Rot. Bonds14

About azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol

azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol (PubChem CID 172974354) has the molecular formula C25H35N7O6P6S2+2 and a molecular weight of 779.58 g/mol. Its IUPAC name is azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol.

Molecular Properties

Compound Nameazido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol
PubChem CID172974354
Molecular FormulaC25H35N7O6P6S2+2
Molecular Weight779.58 g/mol
Exact Mass779.05
IUPAC Nameazido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol
SMILESCN[P+](=S)Oc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CP(=O)(OC)OC)cc2)cc1.[H]/N=C/c1ccc(O)cc1.[N-]=[N+]=NP(P)P
InChIInChI=1S/C18H24N3O5P3S2.C7H7NO.H4N3P3/c1-19-27(30)25-17-9-5-15(6-10-17)13-20-21(2)28(31)26-18-11-7-16(8-12-18)14-29(22,23-3)24-4;8-5-6-1-3-7(9)4-2-6;1-2-3-6(4)5/h5-13H,14H2,1-4H3,(H,19,30);1-5,8-9H;4-5H2/q+2;;/b20-13+;8-5+;
InChIKeyBQAXTGGSXZOEEV-CXSVHXOLSA-N
XLogP8.83
TPSA174.46 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.58
LogP ≤ 58.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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-[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
disodium;[2-[4-[[[(E)-[4-bis(phosphanyl)phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate
CID 59400991
[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-[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
[[(E)-[4-(2-azidoheptan-2-yloxy)phenyl]methylideneamino]-methylamino]-[2-[4-[(E)-[methyl-[2-[4-[(E)-[methyl-[2-[4-(phosphonomethyl)phenoxy]propan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]hexan-2-yl-sulfanylidenephosphaniumyl]hydrazinylidene]methyl]phenoxy]propan-2-yl]-sulfanylidenephosphanium
CID 89365045
[4-[hydroxy(phosphono)methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-oxophosphanium
CID 59401065
[[[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-[dimethoxyphosphoryl-[dimethoxyphosphorylmethyl(prop-2-enyl)amino]methyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 58875582
[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

Frequently Asked Questions

What is the IUPAC name of azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol?
The IUPAC name of azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol (CID 172974354) is azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol.
What is the SMILES notation for azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol?
The canonical SMILES for azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol is CN[P+](=S)Oc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CP(=O)(OC)OC)cc2)cc1.[H]/N=C/c1ccc(O)cc1.[N-]=[N+]=NP(P)P.
What is the InChIKey of azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol?
The InChIKey is BQAXTGGSXZOEEV-CXSVHXOLSA-N. The full InChI is InChI=1S/C18H24N3O5P3S2.C7H7NO.H4N3P3/c1-19-27(30)25-17-9-5-15(6-10-17)13-20-21(2)28(31)26-18-11-7-16(8-12-18)14-29(22,23-3)24-4;8-5-6-1-3-7(9)4-2-6;1-2-3-6(4)5/h5-13H,14H2,1-4H3,(H,19,30);1-5,8-9H;4-5H2/q+2;;/b20-13+;8-5+;.
What are the key properties of azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol?
azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol has a molecular weight of 779.58 g/mol, XLogP of 8.83, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol is sourced from PubChem (CID 172974354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).