boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium

C54H47BO4P2+2 — CID 175447318

IUPACboric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium
SMILESOB(O)O.c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24OP.C24H20P.BH3O3/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3)4/h1-24H;1-20H;2-4H/q2*+1;
InChIKeyFJXYEZZRNWUVQW-UHFFFAOYSA-N
MW832.73 g/mol
LogP8.35
Rot. Bonds10

About boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium

boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium (PubChem CID 175447318) has the molecular formula C54H47BO4P2+2 and a molecular weight of 832.73 g/mol. Its IUPAC name is boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium.

Molecular Properties

Compound Nameboric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium
PubChem CID175447318
Molecular FormulaC54H47BO4P2+2
Molecular Weight832.73 g/mol
Exact Mass832.30
IUPAC Nameboric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium
SMILESOB(O)O.c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24OP.C24H20P.BH3O3/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3)4/h1-24H;1-20H;2-4H/q2*+1;
InChIKeyFJXYEZZRNWUVQW-UHFFFAOYSA-N
XLogP8.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.73
LogP ≤ 58.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 102105381
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
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benzo[a]anthracen-1-yloxy(dioxido)borane;(2-phenoxyphenyl)-triphenylphosphanium
CID 18407742
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[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium
CID 58948118
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469138
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
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CID 139761762

Frequently Asked Questions

What is the IUPAC name of boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium?
The IUPAC name of boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium (CID 175447318) is boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium.
What is the SMILES notation for boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium?
The canonical SMILES for boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium is OB(O)O.c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium?
The InChIKey is FJXYEZZRNWUVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OP.C24H20P.BH3O3/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3)4/h1-24H;1-20H;2-4H/q2*+1;.
What are the key properties of boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium?
boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium has a molecular weight of 832.73 g/mol, XLogP of 8.35, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium is sourced from PubChem (CID 175447318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).