lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide

C23H19Li — CID 165376734

IUPAClithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide
SMILESCc1cc2c(-c3cccc4ccccc34)c3c(cc2[cH-]1)CCC3.[Li+]
InChIInChI=1S/C23H19.Li/c1-15-12-18-14-17-8-5-10-20(17)23(22(18)13-15)21-11-4-7-16-6-2-3-9-19(16)21;/h2-4,6-7,9,11-14H,5,8,10H2,1H3;/q-1;+1
InChIKeyMMOMFUTVDKUHME-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.18
Rot. Bonds1

About lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide

lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide (PubChem CID 165376734) has the molecular formula C23H19Li and a molecular weight of 302.35 g/mol. Its IUPAC name is lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide.

Molecular Properties

Compound Namelithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide
PubChem CID165376734
Molecular FormulaC23H19Li
Molecular Weight302.35 g/mol
Exact Mass302.16
IUPAC Namelithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide
SMILESCc1cc2c(-c3cccc4ccccc34)c3c(cc2[cH-]1)CCC3.[Li+]
InChIInChI=1S/C23H19.Li/c1-15-12-18-14-17-8-5-10-20(17)23(22(18)13-15)21-11-4-7-16-6-2-3-9-19(16)21;/h2-4,6-7,9,11-14H,5,8,10H2,1H3;/q-1;+1
InChIKeyMMOMFUTVDKUHME-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.18
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

dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide
CID 162767498
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 173093718
CID 173161432
CID 173161432
CID 155727203
CID 155727203
CID 159922030
CID 159922030
carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)
CID 151603512
CID 173197869
CID 173197869
CID 173314324
CID 173314324
4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride
CID 172680927
CID 173019928
CID 173019928
1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene
CID 102073038
CID 87865812
CID 87865812

Frequently Asked Questions

What is the IUPAC name of lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide?
The IUPAC name of lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide (CID 165376734) is lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide.
What is the SMILES notation for lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide?
The canonical SMILES for lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide is Cc1cc2c(-c3cccc4ccccc34)c3c(cc2[cH-]1)CCC3.[Li+].
What is the InChIKey of lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide?
The InChIKey is MMOMFUTVDKUHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19.Li/c1-15-12-18-14-17-8-5-10-20(17)23(22(18)13-15)21-11-4-7-16-6-2-3-9-19(16)21;/h2-4,6-7,9,11-14H,5,8,10H2,1H3;/q-1;+1.
What are the key properties of lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide?
lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide has a molecular weight of 302.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide is sourced from PubChem (CID 165376734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).