diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane

C32H88B6N2O14 — CID 139135638

IUPACdiazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane
SMILESB.B.B[BH3-].B[BH3-].C1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[NH4+].[NH4+]
InChIInChI=1S/2C12H24O6.2C4H8O.2B2H5.2BH3.2H3N/c2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;2*1-2;;;;/h2*1-12H2;2*1-4H2;2*1H2,2H3;4*1H3/q;;;;2*-1;;;;/p+2
InChIKeyNTONXXHTYZUMQT-UHFFFAOYSA-P
MW789.93 g/mol
LogP-4.02
Rot. Bonds

About diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane

diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane (PubChem CID 139135638) has the molecular formula C32H88B6N2O14 and a molecular weight of 789.93 g/mol. Its IUPAC name is diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane.

Molecular Properties

Compound Namediazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane
PubChem CID139135638
Molecular FormulaC32H88B6N2O14
Molecular Weight789.93 g/mol
Exact Mass790.68
IUPAC Namediazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane
SMILESB.B.B[BH3-].B[BH3-].C1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[NH4+].[NH4+]
InChIInChI=1S/2C12H24O6.2C4H8O.2B2H5.2BH3.2H3N/c2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;2*1-2;;;;/h2*1-12H2;2*1-4H2;2*1H2,2H3;4*1H3/q;;;;2*-1;;;;/p+2
InChIKeyNTONXXHTYZUMQT-UHFFFAOYSA-P
XLogP-4.02
TPSA202.22 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.93
LogP ≤ 5-4.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane 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

1,4,7-trioxacyclotridecane
CID 118017817
potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane
CID 5232581
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
sodium;(boranuidylazaniumyl)boranuide;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane
CID 139124520
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxacycloheptadecane
CID 22011753

Frequently Asked Questions

What is the IUPAC name of diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane?
The IUPAC name of diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane (CID 139135638) is diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane.
What is the SMILES notation for diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane?
The canonical SMILES for diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane is B.B.B[BH3-].B[BH3-].C1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[NH4+].[NH4+].
What is the InChIKey of diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane?
The InChIKey is NTONXXHTYZUMQT-UHFFFAOYSA-P. The full InChI is InChI=1S/2C12H24O6.2C4H8O.2B2H5.2BH3.2H3N/c2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;2*1-2;;;;/h2*1-12H2;2*1-4H2;2*1H2,2H3;4*1H3/q;;;;2*-1;;;;/p+2.
What are the key properties of diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane?
diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane has a molecular weight of 789.93 g/mol, XLogP of -4.02, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;borane;boranylboranuide;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane is sourced from PubChem (CID 139135638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).