(dimethyl(phenyl)azanium);dodecaborate

C288H432B12N36O36 — CID 139692201

IUPAC(dimethyl(phenyl)azanium);dodecaborate
SMILESC[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/36C8H11N.12BO3/c36*1-9(2)8-6-4-3-5-7-8;12*2-1(3)4/h36*3-7H,1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-3/p+36
InChIKeyCVILQEPXVBSTIR-UHFFFAOYSA-A
MW5104.58 g/mol
LogP-30.72
Rot. Bonds36

About (dimethyl(phenyl)azanium);dodecaborate

(dimethyl(phenyl)azanium);dodecaborate (PubChem CID 139692201) has the molecular formula C288H432B12N36O36 and a molecular weight of 5104.58 g/mol. Its IUPAC name is (dimethyl(phenyl)azanium);dodecaborate.

Molecular Properties

Compound Name(dimethyl(phenyl)azanium);dodecaborate
PubChem CID139692201
Molecular FormulaC288H432B12N36O36
Molecular Weight5104.58 g/mol
Exact Mass5103.42
IUPAC Name(dimethyl(phenyl)azanium);dodecaborate
SMILESC[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/36C8H11N.12BO3/c36*1-9(2)8-6-4-3-5-7-8;12*2-1(3)4/h36*3-7H,1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-3/p+36
InChIKeyCVILQEPXVBSTIR-UHFFFAOYSA-A
XLogP-30.72
TPSA990.00 Ų
H-Bond Donors36
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005104.58
LogP ≤ 5-30.72
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1036

Analyze (dimethyl(phenyl)azanium);dodecaborate 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

bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
CID 141011580
tris(ethyl(diphenyl)azanium);borate
CID 141121893
N-methylbenzeneamine oxide
CID 87928145
cyclohex-2-en-1-yloxy(dioxido)borane;bis(dimethyl(phenyl)azanium)
CID 139836069
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
CID 140993389
dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide
CID 22370881
phenylazanium;borate
CID 66915705
bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
CID 22370886
N-tert-butylbenzeneamine oxide
CID 100926006
1-N,3-N-dimethylbenzene-1,3-diamine oxide
CID 163521365
dimethyl(phenyl)azanium;tetrakis(1,3,4,5,6-pentafluoronaphthalen-2-yl)boranuide
CID 164564276

Frequently Asked Questions

What is the IUPAC name of (dimethyl(phenyl)azanium);dodecaborate?
The IUPAC name of (dimethyl(phenyl)azanium);dodecaborate (CID 139692201) is (dimethyl(phenyl)azanium);dodecaborate.
What is the SMILES notation for (dimethyl(phenyl)azanium);dodecaborate?
The canonical SMILES for (dimethyl(phenyl)azanium);dodecaborate is C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of (dimethyl(phenyl)azanium);dodecaborate?
The InChIKey is CVILQEPXVBSTIR-UHFFFAOYSA-A. The full InChI is InChI=1S/36C8H11N.12BO3/c36*1-9(2)8-6-4-3-5-7-8;12*2-1(3)4/h36*3-7H,1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-3/p+36.
What are the key properties of (dimethyl(phenyl)azanium);dodecaborate?
(dimethyl(phenyl)azanium);dodecaborate has a molecular weight of 5104.58 g/mol, XLogP of -30.72, 36 rotatable bonds, 36 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethyl(phenyl)azanium);dodecaborate is sourced from PubChem (CID 139692201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).