lithium;coronene;hydride

C24H13Li — CID 174462222

IUPAClithium;coronene;hydride
SMILES[H-].[Li+].c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61
InChIInChI=1S/C24H12.Li.H/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;;/h1-12H;;/q;+1;-1
InChIKeyZPNKOXLRFITWHO-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.04
Rot. Bonds

About lithium;coronene;hydride

lithium;coronene;hydride (PubChem CID 174462222) has the molecular formula C24H13Li and a molecular weight of 308.31 g/mol. Its IUPAC name is lithium;coronene;hydride.

Molecular Properties

Compound Namelithium;coronene;hydride
PubChem CID174462222
Molecular FormulaC24H13Li
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Namelithium;coronene;hydride
SMILES[H-].[Li+].c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61
InChIInChI=1S/C24H12.Li.H/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;;/h1-12H;;/q;+1;-1
InChIKeyZPNKOXLRFITWHO-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;coronene;hydride?
The IUPAC name of lithium;coronene;hydride (CID 174462222) is lithium;coronene;hydride.
What is the SMILES notation for lithium;coronene;hydride?
The canonical SMILES for lithium;coronene;hydride is [H-].[Li+].c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.
What is the InChIKey of lithium;coronene;hydride?
The InChIKey is ZPNKOXLRFITWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12.Li.H/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;;/h1-12H;;/q;+1;-1.
What are the key properties of lithium;coronene;hydride?
lithium;coronene;hydride has a molecular weight of 308.31 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;coronene;hydride is sourced from PubChem (CID 174462222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).