CID 172725087

C22H18Li2 — CID 172725087

IUPAC—
SMILES[Li].[Li].c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.2Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;;/h1-10H;1-8H;;
InChIKeyHAQHHBMPLRCNPX-UHFFFAOYSA-N
MW296.27 g/mol
LogP5.43
Rot. Bonds1

About CID 172725087

CID 172725087 (PubChem CID 172725087) has the molecular formula C22H18Li2 and a molecular weight of 296.27 g/mol.

Molecular Properties

Compound NameCID 172725087
PubChem CID172725087
Molecular FormulaC22H18Li2
Molecular Weight296.27 g/mol
Exact Mass296.17
IUPAC Name—
SMILES[Li].[Li].c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.2Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;;/h1-10H;1-8H;;
InChIKeyHAQHHBMPLRCNPX-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.27
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 172725087?
The IUPAC name of CID 172725087 (CID 172725087) is not available.
What is the SMILES notation for CID 172725087?
The canonical SMILES for CID 172725087 is [Li].[Li].c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of CID 172725087?
The InChIKey is HAQHHBMPLRCNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.2Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;;/h1-10H;1-8H;;.
What are the key properties of CID 172725087?
CID 172725087 has a molecular weight of 296.27 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172725087 is sourced from PubChem (CID 172725087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).