[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium

C30H23O7P2+ — CID 59104469

IUPAC[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)Oc1ccc(-c2ccc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H23O7P2/c31-38(33-26-10-4-1-5-11-26)34-27-20-16-24(17-21-27)25-18-22-30(23-19-25)37-39(32,35-28-12-6-2-7-13-28)36-29-14-8-3-9-15-29/h1-23H/q+1
InChIKeyJFNLSYGPNDWRLJ-UHFFFAOYSA-N
MW557.46 g/mol
LogP9.11
Rot. Bonds11

About [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium

[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium (PubChem CID 59104469) has the molecular formula C30H23O7P2+ and a molecular weight of 557.46 g/mol. Its IUPAC name is [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
PubChem CID59104469
Molecular FormulaC30H23O7P2+
Molecular Weight557.46 g/mol
Exact Mass557.09
IUPAC Name[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)Oc1ccc(-c2ccc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H23O7P2/c31-38(33-26-10-4-1-5-11-26)34-27-20-16-24(17-21-27)25-18-22-30(23-19-25)37-39(32,35-28-12-6-2-7-13-28)36-29-14-8-3-9-15-29/h1-23H/q+1
InChIKeyJFNLSYGPNDWRLJ-UHFFFAOYSA-N
XLogP9.11
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.46
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylphenyl)phenyl] diphenyl phosphate;oxo(diphenoxy)phosphanium
CID 91420416
oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
CID 20712633
cyclohexa-1,3-dien-1-yloxy-[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxophosphanium
CID 71142150
copper;oxo(diphenoxy)phosphanium
CID 158842365
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
CID 59089948
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
triphenyl phosphate;hydrate
CID 66881958
tris(4-phenoxyphenyl) phosphate
CID 70576220
hydroxy phenyl (4-phenylphenyl) phosphate
CID 139950736
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
2-methylpropane;triphenyl phosphate
CID 91193965

Frequently Asked Questions

What is the IUPAC name of [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium?
The IUPAC name of [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium (CID 59104469) is [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium.
What is the SMILES notation for [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium?
The canonical SMILES for [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium is O=[P+](Oc1ccccc1)Oc1ccc(-c2ccc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium?
The InChIKey is JFNLSYGPNDWRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23O7P2/c31-38(33-26-10-4-1-5-11-26)34-27-20-16-24(17-21-27)25-18-22-30(23-19-25)37-39(32,35-28-12-6-2-7-13-28)36-29-14-8-3-9-15-29/h1-23H/q+1.
What are the key properties of [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium?
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium has a molecular weight of 557.46 g/mol, XLogP of 9.11, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium is sourced from PubChem (CID 59104469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).