oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium

C30H23O10P3+2 — CID 20712633

IUPACoxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(O[P+](=O)Oc3ccccc3)c2)c1
InChIInChI=1S/C30H23O10P3/c31-41(34-24-12-4-1-5-13-24)36-27-18-10-20-29(22-27)39-43(33,38-26-16-8-3-9-17-26)40-30-21-11-19-28(23-30)37-42(32)35-25-14-6-2-7-15-25/h1-23H/q+2
InChIKeyKILNLNCYAOTCAU-UHFFFAOYSA-N
MW636.43 g/mol
LogP9.56
Rot. Bonds14

About oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium

oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium (PubChem CID 20712633) has the molecular formula C30H23O10P3+2 and a molecular weight of 636.43 g/mol. Its IUPAC name is oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium.

Molecular Properties

Compound Nameoxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
PubChem CID20712633
Molecular FormulaC30H23O10P3+2
Molecular Weight636.43 g/mol
Exact Mass636.05
IUPAC Nameoxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(O[P+](=O)Oc3ccccc3)c2)c1
InChIInChI=1S/C30H23O10P3/c31-41(34-24-12-4-1-5-13-24)36-27-18-10-20-29(22-27)39-43(33,38-26-16-8-3-9-17-26)40-30-21-11-19-28(23-30)37-42(32)35-25-14-6-2-7-15-25/h1-23H/q+2
InChIKeyKILNLNCYAOTCAU-UHFFFAOYSA-N
XLogP9.56
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.43
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
CID 59089948
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
CID 59104469
copper;oxo(diphenoxy)phosphanium
CID 158842365
[4-(4-methylphenyl)phenyl] diphenyl phosphate;oxo(diphenoxy)phosphanium
CID 91420416
(3-fluorophenyl) diphenyl phosphate
CID 154131589
oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
CID 20686410
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
(3-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 166967695
(3,4-difluorophenyl) diphenyl phosphate
CID 138736983
bis(3,4-difluorophenyl) phenyl phosphate
CID 138736917

Frequently Asked Questions

What is the IUPAC name of oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium?
The IUPAC name of oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium (CID 20712633) is oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium.
What is the SMILES notation for oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium?
The canonical SMILES for oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium is O=[P+](Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(O[P+](=O)Oc3ccccc3)c2)c1.
What is the InChIKey of oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium?
The InChIKey is KILNLNCYAOTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23O10P3/c31-41(34-24-12-4-1-5-13-24)36-27-18-10-20-29(22-27)39-43(33,38-26-16-8-3-9-17-26)40-30-21-11-19-28(23-30)37-42(32)35-25-14-6-2-7-15-25/h1-23H/q+2.
What are the key properties of oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium?
oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium has a molecular weight of 636.43 g/mol, XLogP of 9.56, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium is sourced from PubChem (CID 20712633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).