calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen

C19H19CaLi — CID 174921714

IUPACcalcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen
SMILES[Ca+2].[H-].[H-].[H][H].[Li+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.Ca.Li.H2.2H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h1-15H;;;1H;;/q-1;+2;+1;;2*-1
InChIKeyPFNKADVLFGGWGL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.80
Rot. Bonds3

About calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen

calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen (PubChem CID 174921714) has the molecular formula C19H19CaLi and a molecular weight of 294.38 g/mol. Its IUPAC name is calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen.

Molecular Properties

Compound Namecalcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen
PubChem CID174921714
Molecular FormulaC19H19CaLi
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Namecalcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen
SMILES[Ca+2].[H-].[H-].[H][H].[Li+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.Ca.Li.H2.2H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h1-15H;;;1H;;/q-1;+2;+1;;2*-1
InChIKeyPFNKADVLFGGWGL-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen?
The IUPAC name of calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen (CID 174921714) is calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen.
What is the SMILES notation for calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen?
The canonical SMILES for calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen is [Ca+2].[H-].[H-].[H][H].[Li+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen?
The InChIKey is PFNKADVLFGGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15.Ca.Li.H2.2H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h1-15H;;;1H;;/q-1;+2;+1;;2*-1.
What are the key properties of calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen?
calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen has a molecular weight of 294.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen is sourced from PubChem (CID 174921714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).