beryllium bis(benzo[h]quinolin-10-olate)

C26H16BeN2O2 — CID 22596848

IUPACberyllium bis(benzo[h]quinolin-10-olate)
SMILES[Be+2].[O-]c1cccc2ccc3cccnc3c12.[O-]c1cccc2ccc3cccnc3c12
InChIInChI=1S/2C13H9NO.Be/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2*1-8,15H;/q;;+2/p-2
InChIKeyGQVWHWAWLPCBHB-UHFFFAOYSA-L
MW397.44 g/mol
LogP4.54
Rot. Bonds

About beryllium bis(benzo[h]quinolin-10-olate)

beryllium bis(benzo[h]quinolin-10-olate) (PubChem CID 22596848) has the molecular formula C26H16BeN2O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is beryllium bis(benzo[h]quinolin-10-olate).

Molecular Properties

Compound Nameberyllium bis(benzo[h]quinolin-10-olate)
PubChem CID22596848
Molecular FormulaC26H16BeN2O2
Molecular Weight397.44 g/mol
Exact Mass397.13
IUPAC Nameberyllium bis(benzo[h]quinolin-10-olate)
SMILES[Be+2].[O-]c1cccc2ccc3cccnc3c12.[O-]c1cccc2ccc3cccnc3c12
InChIInChI=1S/2C13H9NO.Be/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2*1-8,15H;/q;;+2/p-2
InChIKeyGQVWHWAWLPCBHB-UHFFFAOYSA-L
XLogP4.54
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of beryllium bis(benzo[h]quinolin-10-olate)?
The IUPAC name of beryllium bis(benzo[h]quinolin-10-olate) (CID 22596848) is beryllium bis(benzo[h]quinolin-10-olate).
What is the SMILES notation for beryllium bis(benzo[h]quinolin-10-olate)?
The canonical SMILES for beryllium bis(benzo[h]quinolin-10-olate) is [Be+2].[O-]c1cccc2ccc3cccnc3c12.[O-]c1cccc2ccc3cccnc3c12.
What is the InChIKey of beryllium bis(benzo[h]quinolin-10-olate)?
The InChIKey is GQVWHWAWLPCBHB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9NO.Be/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2*1-8,15H;/q;;+2/p-2.
What are the key properties of beryllium bis(benzo[h]quinolin-10-olate)?
beryllium bis(benzo[h]quinolin-10-olate) has a molecular weight of 397.44 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(benzo[h]quinolin-10-olate) is sourced from PubChem (CID 22596848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).