lithium 2,3,4,5-tetraphenylphenolate

C30H21LiO — CID 122517105

IUPAClithium 2,3,4,5-tetraphenylphenolate
SMILES[Li+].[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22O.Li/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;/q;+1/p-1
InChIKeyNTPNIELWEGPCFO-UHFFFAOYSA-M
MW404.44 g/mol
LogP4.43
Rot. Bonds4

About lithium 2,3,4,5-tetraphenylphenolate

lithium 2,3,4,5-tetraphenylphenolate (PubChem CID 122517105) has the molecular formula C30H21LiO and a molecular weight of 404.44 g/mol. Its IUPAC name is lithium 2,3,4,5-tetraphenylphenolate.

Molecular Properties

Compound Namelithium 2,3,4,5-tetraphenylphenolate
PubChem CID122517105
Molecular FormulaC30H21LiO
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Namelithium 2,3,4,5-tetraphenylphenolate
SMILES[Li+].[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22O.Li/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;/q;+1/p-1
InChIKeyNTPNIELWEGPCFO-UHFFFAOYSA-M
XLogP4.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
Thymol Iodide
CID 11088
1,1'-Methylenebis(2-naphthalenol)
CID 14187
9-Hydroxybenzo(a)pyrene
CID 28598
Benzo[a]pyrene-7,8-diol
CID 42267
3-Hydroxybenzo(a)pyrene
CID 25890
6-Hydroxychrysene
CID 37766
5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
Binol
CID 11762
Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
CID 14228559
2-Hydroxybenzo(a)pyrene
CID 42027

Frequently Asked Questions

What is the IUPAC name of lithium 2,3,4,5-tetraphenylphenolate?
The IUPAC name of lithium 2,3,4,5-tetraphenylphenolate (CID 122517105) is lithium 2,3,4,5-tetraphenylphenolate.
What is the SMILES notation for lithium 2,3,4,5-tetraphenylphenolate?
The canonical SMILES for lithium 2,3,4,5-tetraphenylphenolate is [Li+].[O-]c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of lithium 2,3,4,5-tetraphenylphenolate?
The InChIKey is NTPNIELWEGPCFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H22O.Li/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;/q;+1/p-1.
What are the key properties of lithium 2,3,4,5-tetraphenylphenolate?
lithium 2,3,4,5-tetraphenylphenolate has a molecular weight of 404.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,4,5-tetraphenylphenolate is sourced from PubChem (CID 122517105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).