lithium 9-phenylfluoren-9-ide

C19H13Li — CID 12807150

IUPAClithium 9-phenylfluoren-9-ide
SMILES[Li+].c1ccc(-[c-]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C19H13.Li/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;/h1-13H;/q-1;+1
InChIKeyRZKRWTUOBLZVFH-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.38
Rot. Bonds1

About lithium 9-phenylfluoren-9-ide

lithium 9-phenylfluoren-9-ide (PubChem CID 12807150) has the molecular formula C19H13Li and a molecular weight of 248.25 g/mol. Its IUPAC name is lithium 9-phenylfluoren-9-ide.

Molecular Properties

Compound Namelithium 9-phenylfluoren-9-ide
PubChem CID12807150
Molecular FormulaC19H13Li
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Namelithium 9-phenylfluoren-9-ide
SMILES[Li+].c1ccc(-[c-]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C19H13.Li/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;/h1-13H;/q-1;+1
InChIKeyRZKRWTUOBLZVFH-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of lithium 9-phenylfluoren-9-ide?
The IUPAC name of lithium 9-phenylfluoren-9-ide (CID 12807150) is lithium 9-phenylfluoren-9-ide.
What is the SMILES notation for lithium 9-phenylfluoren-9-ide?
The canonical SMILES for lithium 9-phenylfluoren-9-ide is [Li+].c1ccc(-[c-]2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of lithium 9-phenylfluoren-9-ide?
The InChIKey is RZKRWTUOBLZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13.Li/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;/h1-13H;/q-1;+1.
What are the key properties of lithium 9-phenylfluoren-9-ide?
lithium 9-phenylfluoren-9-ide has a molecular weight of 248.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 9-phenylfluoren-9-ide is sourced from PubChem (CID 12807150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).