beryllium bis(5-phenylquinolin-1-ium-8-olate)

C30H22BeN2O2+2 — CID 59818562

IUPACberyllium bis(5-phenylquinolin-1-ium-8-olate)
SMILES[Be+2].[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12.[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12
InChIInChI=1S/2C15H11NO.Be/c2*17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h2*1-10,17H;/q;;+2
InChIKeyGGHAUKPKDBMIMZ-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.41
Rot. Bonds2

About beryllium bis(5-phenylquinolin-1-ium-8-olate)

beryllium bis(5-phenylquinolin-1-ium-8-olate) (PubChem CID 59818562) has the molecular formula C30H22BeN2O2+2 and a molecular weight of 451.53 g/mol. Its IUPAC name is beryllium bis(5-phenylquinolin-1-ium-8-olate).

Molecular Properties

Compound Nameberyllium bis(5-phenylquinolin-1-ium-8-olate)
PubChem CID59818562
Molecular FormulaC30H22BeN2O2+2
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Nameberyllium bis(5-phenylquinolin-1-ium-8-olate)
SMILES[Be+2].[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12.[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12
InChIInChI=1S/2C15H11NO.Be/c2*17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h2*1-10,17H;/q;;+2
InChIKeyGGHAUKPKDBMIMZ-UHFFFAOYSA-N
XLogP4.41
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cunilate
CID 56840841
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
7-Hydroxyellipticine
CID 125663
5-({Benzyl[(8-hydroxy-5-quinolinyl)methyl]amino}methyl)-8-quinolinol
CID 25015251
5-[[11-[(8-Hydroxy-5-quinolyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]quinolin-8-ol
CID 16075556
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
8-Quinolinol, 5,5'-[1,3-propanediylbis(iminomethylene)]bis-
CID 16075553
5,5'-(((1,4-Phenylenebis(methylene))bis(azanediyl))bis(methylene))bis(quinolin-8-ol)
CID 16075554
4-{4-[2-(2-Isoquinolin-5-yl-1H-indol-3-yl)-ethylamino]-butyl}-phenol
CID 44365485
5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 155515143
N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine
CID 45112907

Frequently Asked Questions

What is the IUPAC name of beryllium bis(5-phenylquinolin-1-ium-8-olate)?
The IUPAC name of beryllium bis(5-phenylquinolin-1-ium-8-olate) (CID 59818562) is beryllium bis(5-phenylquinolin-1-ium-8-olate).
What is the SMILES notation for beryllium bis(5-phenylquinolin-1-ium-8-olate)?
The canonical SMILES for beryllium bis(5-phenylquinolin-1-ium-8-olate) is [Be+2].[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12.[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12.
What is the InChIKey of beryllium bis(5-phenylquinolin-1-ium-8-olate)?
The InChIKey is GGHAUKPKDBMIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11NO.Be/c2*17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h2*1-10,17H;/q;;+2.
What are the key properties of beryllium bis(5-phenylquinolin-1-ium-8-olate)?
beryllium bis(5-phenylquinolin-1-ium-8-olate) has a molecular weight of 451.53 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(5-phenylquinolin-1-ium-8-olate) is sourced from PubChem (CID 59818562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).