lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide

C19H19Li — CID 22023043

IUPAClithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide
SMILESCc1cc(-c2ccccc2)c2cc(C(C)C)[cH-]c2c1.[Li+]
InChIInChI=1S/C19H19.Li/c1-13(2)16-11-17-9-14(3)10-18(19(17)12-16)15-7-5-4-6-8-15;/h4-13H,1-3H3;/q-1;+1
InChIKeyYPKGDBBILNNJFJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.66
Rot. Bonds2

About lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide

lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide (PubChem CID 22023043) has the molecular formula C19H19Li and a molecular weight of 254.30 g/mol. Its IUPAC name is lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide.

Molecular Properties

Compound Namelithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide
PubChem CID22023043
Molecular FormulaC19H19Li
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Namelithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide
SMILESCc1cc(-c2ccccc2)c2cc(C(C)C)[cH-]c2c1.[Li+]
InChIInChI=1S/C19H19.Li/c1-13(2)16-11-17-9-14(3)10-18(19(17)12-16)15-7-5-4-6-8-15;/h4-13H,1-3H3;/q-1;+1
InChIKeyYPKGDBBILNNJFJ-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173124092
CID 173124092
dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide
CID 87824056
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
CID 87633332
CID 87633332
CID 173187176
CID 173187176
4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 158140272
dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide
CID 87865079
CID 87982434
CID 87982434
CID 173124123
CID 173124123
CID 87631904
CID 87631904
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
5-methyl-3-phenyl-2-propan-2-ylphenol
CID 70085358

Frequently Asked Questions

What is the IUPAC name of lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide?
The IUPAC name of lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide (CID 22023043) is lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide.
What is the SMILES notation for lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide?
The canonical SMILES for lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide is Cc1cc(-c2ccccc2)c2cc(C(C)C)[cH-]c2c1.[Li+].
What is the InChIKey of lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide?
The InChIKey is YPKGDBBILNNJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19.Li/c1-13(2)16-11-17-9-14(3)10-18(19(17)12-16)15-7-5-4-6-8-15;/h4-13H,1-3H3;/q-1;+1.
What are the key properties of lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide?
lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide has a molecular weight of 254.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide is sourced from PubChem (CID 22023043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).