phosphanium 2,3,4,5-tetraphenylphenolate

C30H25OP — CID 87286180

IUPACphosphanium 2,3,4,5-tetraphenylphenolate
SMILES[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[PH4+]
InChIInChI=1S/C30H22O.H3P/c31-27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)30(25-19-11-4-12-20-25)29(27)24-17-9-3-10-18-24;/h1-21,31H;1H3
InChIKeyIZGVQQPAQOXQRM-UHFFFAOYSA-N
MW432.50 g/mol
LogP7.22
Rot. Bonds4

About phosphanium 2,3,4,5-tetraphenylphenolate

phosphanium 2,3,4,5-tetraphenylphenolate (PubChem CID 87286180) has the molecular formula C30H25OP and a molecular weight of 432.50 g/mol. Its IUPAC name is phosphanium 2,3,4,5-tetraphenylphenolate.

Molecular Properties

Compound Namephosphanium 2,3,4,5-tetraphenylphenolate
PubChem CID87286180
Molecular FormulaC30H25OP
Molecular Weight432.50 g/mol
Exact Mass432.16
IUPAC Namephosphanium 2,3,4,5-tetraphenylphenolate
SMILES[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[PH4+]
InChIInChI=1S/C30H22O.H3P/c31-27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)30(25-19-11-4-12-20-25)29(27)24-17-9-3-10-18-24;/h1-21,31H;1H3
InChIKeyIZGVQQPAQOXQRM-UHFFFAOYSA-N
XLogP7.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 57.22
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

lithium 2,3,4,5-tetraphenylphenolate
CID 122517105
3,4,5-triphenyl-2-phosphaniumylphenolate
CID 87061436
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
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750
2-(2-hydroxyphenyl)-3,4,5-triphenylphenol
CID 175029537
2,3,4,5-tetraphenyl-N-(2,3,4,5-tetraphenylphenyl)-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]aniline
CID 175590925
4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647992
methane;1-(3-methylphenyl)-2,3,4,5-tetraphenylbenzene
CID 142335654
3,4,5-triphenylaniline
CID 123249258
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875

Frequently Asked Questions

What is the IUPAC name of phosphanium 2,3,4,5-tetraphenylphenolate?
The IUPAC name of phosphanium 2,3,4,5-tetraphenylphenolate (CID 87286180) is phosphanium 2,3,4,5-tetraphenylphenolate.
What is the SMILES notation for phosphanium 2,3,4,5-tetraphenylphenolate?
The canonical SMILES for phosphanium 2,3,4,5-tetraphenylphenolate is [O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[PH4+].
What is the InChIKey of phosphanium 2,3,4,5-tetraphenylphenolate?
The InChIKey is IZGVQQPAQOXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O.H3P/c31-27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)30(25-19-11-4-12-20-25)29(27)24-17-9-3-10-18-24;/h1-21,31H;1H3.
What are the key properties of phosphanium 2,3,4,5-tetraphenylphenolate?
phosphanium 2,3,4,5-tetraphenylphenolate has a molecular weight of 432.50 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium 2,3,4,5-tetraphenylphenolate is sourced from PubChem (CID 87286180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).