3,4,5-triphenyl-2-phosphaniumylphenolate

C24H19OP — CID 87061436

IUPAC3,4,5-triphenyl-2-phosphaniumylphenolate
SMILES[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[PH3+]
InChIInChI=1S/C24H19OP/c25-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(24(21)26)19-14-8-3-9-15-19/h1-16,25H,26H2
InChIKeyKFIIOTUZCCWXOJ-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.99
Rot. Bonds3

About 3,4,5-triphenyl-2-phosphaniumylphenolate

3,4,5-triphenyl-2-phosphaniumylphenolate (PubChem CID 87061436) has the molecular formula C24H19OP and a molecular weight of 354.39 g/mol. Its IUPAC name is 3,4,5-triphenyl-2-phosphaniumylphenolate.

Molecular Properties

Compound Name3,4,5-triphenyl-2-phosphaniumylphenolate
PubChem CID87061436
Molecular FormulaC24H19OP
Molecular Weight354.39 g/mol
Exact Mass354.12
IUPAC Name3,4,5-triphenyl-2-phosphaniumylphenolate
SMILES[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[PH3+]
InChIInChI=1S/C24H19OP/c25-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(24(21)26)19-14-8-3-9-15-19/h1-16,25H,26H2
InChIKeyKFIIOTUZCCWXOJ-UHFFFAOYSA-N
XLogP4.99
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.99
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

phosphanium 2,3,4,5-tetraphenylphenolate
CID 87286180
lithium 2,3,4,5-tetraphenylphenolate
CID 122517105
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
3,4,5-triphenylaniline
CID 123249258
chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane
CID 88962348
copper bis(2-phenylphenolate)
CID 69349474
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
iron(2+);bis(2-phenylphenolate)
CID 158924180
azanium 2-phenylphenolate
CID 70290125
potassium 2-phenylphenolate
CID 23686122
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-2-phosphaniumylphenolate?
The IUPAC name of 3,4,5-triphenyl-2-phosphaniumylphenolate (CID 87061436) is 3,4,5-triphenyl-2-phosphaniumylphenolate.
What is the SMILES notation for 3,4,5-triphenyl-2-phosphaniumylphenolate?
The canonical SMILES for 3,4,5-triphenyl-2-phosphaniumylphenolate is [O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[PH3+].
What is the InChIKey of 3,4,5-triphenyl-2-phosphaniumylphenolate?
The InChIKey is KFIIOTUZCCWXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19OP/c25-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(24(21)26)19-14-8-3-9-15-19/h1-16,25H,26H2.
What are the key properties of 3,4,5-triphenyl-2-phosphaniumylphenolate?
3,4,5-triphenyl-2-phosphaniumylphenolate has a molecular weight of 354.39 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-2-phosphaniumylphenolate is sourced from PubChem (CID 87061436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).