(4-phenoxyphenyl)-triphenylphosphanium

C30H24OP+ — CID 102105381

IUPAC(4-phenoxyphenyl)-triphenylphosphanium
SMILESc1ccc(Oc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24OP/c1-5-13-25(14-6-1)31-26-21-23-30(24-22-26)32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/q+1
InChIKeyCFNIBEXWEPRNCC-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.10
Rot. Bonds6

About (4-phenoxyphenyl)-triphenylphosphanium

(4-phenoxyphenyl)-triphenylphosphanium (PubChem CID 102105381) has the molecular formula C30H24OP+ and a molecular weight of 431.50 g/mol. Its IUPAC name is (4-phenoxyphenyl)-triphenylphosphanium.

Molecular Properties

Compound Name(4-phenoxyphenyl)-triphenylphosphanium
PubChem CID102105381
Molecular FormulaC30H24OP+
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name(4-phenoxyphenyl)-triphenylphosphanium
SMILESc1ccc(Oc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24OP/c1-5-13-25(14-6-1)31-26-21-23-30(24-22-26)32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/q+1
InChIKeyCFNIBEXWEPRNCC-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium
CID 58948118
[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate
CID 158624992
palladium;tetraphenylphosphanium
CID 76575044
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
potassium;hydride;phenoxybenzene
CID 173391576
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium
CID 175447318

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-triphenylphosphanium?
The IUPAC name of (4-phenoxyphenyl)-triphenylphosphanium (CID 102105381) is (4-phenoxyphenyl)-triphenylphosphanium.
What is the SMILES notation for (4-phenoxyphenyl)-triphenylphosphanium?
The canonical SMILES for (4-phenoxyphenyl)-triphenylphosphanium is c1ccc(Oc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenoxyphenyl)-triphenylphosphanium?
The InChIKey is CFNIBEXWEPRNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OP/c1-5-13-25(14-6-1)31-26-21-23-30(24-22-26)32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/q+1.
What are the key properties of (4-phenoxyphenyl)-triphenylphosphanium?
(4-phenoxyphenyl)-triphenylphosphanium has a molecular weight of 431.50 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-triphenylphosphanium is sourced from PubChem (CID 102105381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).