beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)

C55H74AlBeLiN5O6+3 — CID 158917909

IUPACberyllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)
SMILESCC.CC.CC.CC.COc1ccccc1-c1oc(-c2ccccc2)n[n+]1C.COc1ccccc1-c1oc(-c2ccccc2)n[n+]1C.COc1ccccc1-c1oc2ccccc2[n+]1C.[AlH3].[Be+2].[H-].[H-].[H-].[Li+]
InChIInChI=1S/2C16H15N2O2.C15H14NO2.4C2H6.Al.Be.Li.6H/c2*1-18-16(13-10-6-7-11-14(13)19-2)20-15(17-18)12-8-4-3-5-9-12;1-16-12-8-4-6-10-14(12)18-15(16)11-7-3-5-9-13(11)17-2;4*1-2;;;;;;;;;/h2*3-11H,1-2H3;3-10H,1-2H3;4*1-2H3;;;;;;;;;/q3*+1;;;;;;+2;+1;;;;3*-1
InChIKeyOKYDJWKHUREHET-UHFFFAOYSA-N
MW944.16 g/mol
LogP8.50
Rot. Bonds8

About beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)

beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium) (PubChem CID 158917909) has the molecular formula C55H74AlBeLiN5O6+3 and a molecular weight of 944.16 g/mol. Its IUPAC name is beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium).

Molecular Properties

Compound Nameberyllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)
PubChem CID158917909
Molecular FormulaC55H74AlBeLiN5O6+3
Molecular Weight944.16 g/mol
Exact Mass943.57
IUPAC Nameberyllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)
SMILESCC.CC.CC.CC.COc1ccccc1-c1oc(-c2ccccc2)n[n+]1C.COc1ccccc1-c1oc(-c2ccccc2)n[n+]1C.COc1ccccc1-c1oc2ccccc2[n+]1C.[AlH3].[Be+2].[H-].[H-].[H-].[Li+]
InChIInChI=1S/2C16H15N2O2.C15H14NO2.4C2H6.Al.Be.Li.6H/c2*1-18-16(13-10-6-7-11-14(13)19-2)20-15(17-18)12-8-4-3-5-9-12;1-16-12-8-4-6-10-14(12)18-15(16)11-7-3-5-9-13(11)17-2;4*1-2;;;;;;;;;/h2*3-11H,1-2H3;3-10H,1-2H3;4*1-2H3;;;;;;;;;/q3*+1;;;;;;+2;+1;;;;3*-1
InChIKeyOKYDJWKHUREHET-UHFFFAOYSA-N
XLogP8.50
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.16
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium) 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

zinc 3-methanidyl-2-(2-methanidyloxyphenyl)-1,3-benzoxazol-3-ium
CID 162483832
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
CID 53141190
4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole
CID 174479786
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
CID 91684040
6-[2-(2-methoxyphenyl)-1,3-benzoxazol-3-ium-3-yl]-12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium
CID 91568262
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197

Frequently Asked Questions

What is the IUPAC name of beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)?
The IUPAC name of beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium) (CID 158917909) is beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium).
What is the SMILES notation for beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)?
The canonical SMILES for beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium) is CC.CC.CC.CC.COc1ccccc1-c1oc(-c2ccccc2)n[n+]1C.COc1ccccc1-c1oc(-c2ccccc2)n[n+]1C.COc1ccccc1-c1oc2ccccc2[n+]1C.[AlH3].[Be+2].[H-].[H-].[H-].[Li+].
What is the InChIKey of beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)?
The InChIKey is OKYDJWKHUREHET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N2O2.C15H14NO2.4C2H6.Al.Be.Li.6H/c2*1-18-16(13-10-6-7-11-14(13)19-2)20-15(17-18)12-8-4-3-5-9-12;1-16-12-8-4-6-10-14(12)18-15(16)11-7-3-5-9-13(11)17-2;4*1-2;;;;;;;;;/h2*3-11H,1-2H3;3-10H,1-2H3;4*1-2H3;;;;;;;;;/q3*+1;;;;;;+2;+1;;;;3*-1.
What are the key properties of beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium)?
beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium) has a molecular weight of 944.16 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;lithium;alumane;ethane;hydride;2-(2-methoxyphenyl)-3-methyl-1,3-benzoxazol-3-ium;bis(2-(2-methoxyphenyl)-3-methyl-5-phenyl-1,3,4-oxadiazol-3-ium) is sourced from PubChem (CID 158917909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).