beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate

C19H13BeNO+2 — CID 20606751

IUPACberyllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
SMILES[Be+2].[O-]c1ccc(-c2cccc3ccccc23)c2ccc[nH+]c12
InChIInChI=1S/C19H13NO.Be/c21-18-11-10-16(17-9-4-12-20-19(17)18)15-8-3-6-13-5-1-2-7-14(13)15;/h1-12,21H;/q;+2
InChIKeyVKXUWBKRTKWUBM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.17
Rot. Bonds1

About beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate

beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate (PubChem CID 20606751) has the molecular formula C19H13BeNO+2 and a molecular weight of 280.33 g/mol. Its IUPAC name is beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate.

Molecular Properties

Compound Nameberyllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
PubChem CID20606751
Molecular FormulaC19H13BeNO+2
Molecular Weight280.33 g/mol
Exact Mass280.11
IUPAC Nameberyllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
SMILES[Be+2].[O-]c1ccc(-c2cccc3ccccc23)c2ccc[nH+]c12
InChIInChI=1S/C19H13NO.Be/c21-18-11-10-16(17-9-4-12-20-19(17)18)15-8-3-6-13-5-1-2-7-14(13)15;/h1-12,21H;/q;+2
InChIKeyVKXUWBKRTKWUBM-UHFFFAOYSA-N
XLogP3.17
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
lithium 5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600508
lithium 5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600459
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
pentalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
CID 160905164
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
CID 140801003

Frequently Asked Questions

What is the IUPAC name of beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate?
The IUPAC name of beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate (CID 20606751) is beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate.
What is the SMILES notation for beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate?
The canonical SMILES for beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate is [Be+2].[O-]c1ccc(-c2cccc3ccccc23)c2ccc[nH+]c12.
What is the InChIKey of beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate?
The InChIKey is VKXUWBKRTKWUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO.Be/c21-18-11-10-16(17-9-4-12-20-19(17)18)15-8-3-6-13-5-1-2-7-14(13)15;/h1-12,21H;/q;+2.
What are the key properties of beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate?
beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate has a molecular weight of 280.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate is sourced from PubChem (CID 20606751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).