bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium

C24H21N2O8P2+ — CID 147294333

IUPACbis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium
SMILES[H]N=P(N=[P+](Oc1ccc(O)cc1)Oc1ccc(O)cc1)(Oc1ccc(O)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C24H20N2O8P2/c25-36(33-23-13-5-19(29)6-14-23,34-24-15-7-20(30)8-16-24)26-35(31-21-9-1-17(27)2-10-21)32-22-11-3-18(28)4-12-22/h1-16,25H,(H3-,27,28,29,30)/p+1
InChIKeyWWCAZIRPKFOYAE-UHFFFAOYSA-O
MW527.39 g/mol
LogP7.15
Rot. Bonds9

About bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium

bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium (PubChem CID 147294333) has the molecular formula C24H21N2O8P2+ and a molecular weight of 527.39 g/mol. Its IUPAC name is bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium.

Molecular Properties

Compound Namebis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium
PubChem CID147294333
Molecular FormulaC24H21N2O8P2+
Molecular Weight527.39 g/mol
Exact Mass527.08
IUPAC Namebis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium
SMILES[H]N=P(N=[P+](Oc1ccc(O)cc1)Oc1ccc(O)cc1)(Oc1ccc(O)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C24H20N2O8P2/c25-36(33-23-13-5-19(29)6-14-23,34-24-15-7-20(30)8-16-24)26-35(31-21-9-1-17(27)2-10-21)32-22-11-3-18(28)4-12-22/h1-16,25H,(H3-,27,28,29,30)/p+1
InChIKeyWWCAZIRPKFOYAE-UHFFFAOYSA-O
XLogP7.15
TPSA154.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.39
LogP ≤ 57.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenoxy)-(4-hydroxyphenyl)-oxophosphanium
CID 166720824
[methylimino(diphenoxy)-λ5-phosphanyl]imino-diphenoxyphosphanium
CID 134219885
2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid
CID 156695434
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
4-aminooxyphenol
CID 67279043
CID 162428523
CID 162428523
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
4-[(4-hydroxyphenoxy)-prop-2-enylphosphoryl]oxyphenol
CID 88768896
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
methane;4-methoxyphenol
CID 159494332
benzene-1,4-diol;hydron
CID 137356428
argon;benzene-1,4-diol
CID 71441175

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium?
The IUPAC name of bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium (CID 147294333) is bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium.
What is the SMILES notation for bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium?
The canonical SMILES for bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium is [H]N=P(N=[P+](Oc1ccc(O)cc1)Oc1ccc(O)cc1)(Oc1ccc(O)cc1)Oc1ccc(O)cc1.
What is the InChIKey of bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium?
The InChIKey is WWCAZIRPKFOYAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20N2O8P2/c25-36(33-23-13-5-19(29)6-14-23,34-24-15-7-20(30)8-16-24)26-35(31-21-9-1-17(27)2-10-21)32-22-11-3-18(28)4-12-22/h1-16,25H,(H3-,27,28,29,30)/p+1.
What are the key properties of bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium?
bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium has a molecular weight of 527.39 g/mol, XLogP of 7.15, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenoxy)phosphinimylimino-bis(4-hydroxyphenoxy)phosphanium is sourced from PubChem (CID 147294333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).