lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide

C23H27Li — CID 22023038

IUPAClithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide
SMILESCC(C)(C)c1cc(-c2cccc3[cH-]ccc23)cc(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C23H27.Li/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-8-10-16-9-7-11-20(16)21;/h7-15H,1-6H3;/q-1;+1
InChIKeyDDMLQGLYHGEHQM-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.82
Rot. Bonds1

About lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide

lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide (PubChem CID 22023038) has the molecular formula C23H27Li and a molecular weight of 310.41 g/mol. Its IUPAC name is lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide.

Molecular Properties

Compound Namelithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide
PubChem CID22023038
Molecular FormulaC23H27Li
Molecular Weight310.41 g/mol
Exact Mass310.23
IUPAC Namelithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide
SMILESCC(C)(C)c1cc(-c2cccc3[cH-]ccc23)cc(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C23H27.Li/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-8-10-16-9-7-11-20(16)21;/h7-15H,1-6H3;/q-1;+1
InChIKeyDDMLQGLYHGEHQM-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.82
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

4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 154511524
4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 158605448
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;4-(4-tert-butylphenyl)-1H-inden-1-ide;zirconium(4+);dichloride
CID 22990524
bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
CID 150174113
dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)
CID 87903675
CID 173246133
CID 173246133
1-[3,5-bis(3,5-ditert-butylphenyl)phenyl]pyrene
CID 178182217
6,9,20,23-tetrakis(3,5-ditert-butylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene
CID 58309449
CID 173246039
CID 173246039
4-(4-tert-butylphenyl)-1H-inden-1-ide;2,2,4-trimethyl-5-phospha-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
CID 173245859
dimethylsilylidenezirconium(2+);4-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;dichloride
CID 18369813
2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline
CID 177078236

Frequently Asked Questions

What is the IUPAC name of lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide?
The IUPAC name of lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide (CID 22023038) is lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide.
What is the SMILES notation for lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide?
The canonical SMILES for lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide is CC(C)(C)c1cc(-c2cccc3[cH-]ccc23)cc(C(C)(C)C)c1.[Li+].
What is the InChIKey of lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide?
The InChIKey is DDMLQGLYHGEHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27.Li/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-8-10-16-9-7-11-20(16)21;/h7-15H,1-6H3;/q-1;+1.
What are the key properties of lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide?
lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide has a molecular weight of 310.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide is sourced from PubChem (CID 22023038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).