beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)

C36H28BeN2O2 — CID 58050086

IUPACberyllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)
SMILESCC1(C)c2cccc([O-])c2-c2ncc3ccccc3c21.CC1(C)c2cccc([O-])c2-c2ncc3ccccc3c21.[Be+2]
InChIInChI=1S/2C18H15NO.Be/c2*1-18(2)13-8-5-9-14(20)15(13)17-16(18)12-7-4-3-6-11(12)10-19-17;/h2*3-10,20H,1-2H3;/q;;+2/p-2
InChIKeyJAHIQPYOYBREFE-UHFFFAOYSA-L
MW529.64 g/mol
LogP6.85
Rot. Bonds

About beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)

beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate) (PubChem CID 58050086) has the molecular formula C36H28BeN2O2 and a molecular weight of 529.64 g/mol. Its IUPAC name is beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate).

Molecular Properties

Compound Nameberyllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)
PubChem CID58050086
Molecular FormulaC36H28BeN2O2
Molecular Weight529.64 g/mol
Exact Mass529.23
IUPAC Nameberyllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)
SMILESCC1(C)c2cccc([O-])c2-c2ncc3ccccc3c21.CC1(C)c2cccc([O-])c2-c2ncc3ccccc3c21.[Be+2]
InChIInChI=1S/2C18H15NO.Be/c2*1-18(2)13-8-5-9-14(20)15(13)17-16(18)12-7-4-3-6-11(12)10-19-17;/h2*3-10,20H,1-2H3;/q;;+2/p-2
InChIKeyJAHIQPYOYBREFE-UHFFFAOYSA-L
XLogP6.85
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)?
The IUPAC name of beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate) (CID 58050086) is beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate).
What is the SMILES notation for beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)?
The canonical SMILES for beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate) is CC1(C)c2cccc([O-])c2-c2ncc3ccccc3c21.CC1(C)c2cccc([O-])c2-c2ncc3ccccc3c21.[Be+2].
What is the InChIKey of beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)?
The InChIKey is JAHIQPYOYBREFE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15NO.Be/c2*1-18(2)13-8-5-9-14(20)15(13)17-16(18)12-7-4-3-6-11(12)10-19-17;/h2*3-10,20H,1-2H3;/q;;+2/p-2.
What are the key properties of beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)?
beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate) has a molecular weight of 529.64 g/mol, XLogP of 6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate) is sourced from PubChem (CID 58050086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).