bis(2,4,6-trimethylphenyl)boranylhydrazine

C18H25BN2 — CID 101113237

IUPACbis(2,4,6-trimethylphenyl)boranylhydrazine
SMILESCc1cc(C)c(B(NN)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H25BN2/c1-11-7-13(3)17(14(4)8-11)19(21-20)18-15(5)9-12(2)10-16(18)6/h7-10,21H,20H2,1-6H3
InChIKeyOKRBMDFMLJCNAD-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.11
Rot. Bonds3

About bis(2,4,6-trimethylphenyl)boranylhydrazine

bis(2,4,6-trimethylphenyl)boranylhydrazine (PubChem CID 101113237) has the molecular formula C18H25BN2 and a molecular weight of 280.22 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)boranylhydrazine.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)boranylhydrazine
PubChem CID101113237
Molecular FormulaC18H25BN2
Molecular Weight280.22 g/mol
Exact Mass280.21
IUPAC Namebis(2,4,6-trimethylphenyl)boranylhydrazine
SMILESCc1cc(C)c(B(NN)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H25BN2/c1-11-7-13(3)17(14(4)8-11)19(21-20)18-15(5)9-12(2)10-16(18)6/h7-10,21H,20H2,1-6H3
InChIKeyOKRBMDFMLJCNAD-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine
CID 174046640
cobalt;2,4,6-trimethylaniline
CID 159454360
samarium(3+);tris(2,4,6-trimethylphenolate)
CID 101332383
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
CID 102241957
CID 136818822
CID 136818822
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
(2-tert-butyl-6,8-dimethylquinolin-4-yl)hydrazine
CID 62251885
(2-ethyl-6,8-dimethylquinazolin-4-yl)hydrazine
CID 106583825
[4-[1-bis(2,4,6-trimethylphenyl)boranyl-4-pyridinylidene]-1-pyridinyl]-bis(2,4,6-trimethylphenyl)borane
CID 101364648
[(E)-2-[4-[(E)-2-bis(2,4,6-trimethylphenyl)boranylethenyl]phenyl]ethenyl]-bis(2,4,6-trimethylphenyl)borane
CID 101364649
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455

Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethylphenyl)boranylhydrazine?
The IUPAC name of bis(2,4,6-trimethylphenyl)boranylhydrazine (CID 101113237) is bis(2,4,6-trimethylphenyl)boranylhydrazine.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)boranylhydrazine?
The canonical SMILES for bis(2,4,6-trimethylphenyl)boranylhydrazine is Cc1cc(C)c(B(NN)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)boranylhydrazine?
The InChIKey is OKRBMDFMLJCNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BN2/c1-11-7-13(3)17(14(4)8-11)19(21-20)18-15(5)9-12(2)10-16(18)6/h7-10,21H,20H2,1-6H3.
What are the key properties of bis(2,4,6-trimethylphenyl)boranylhydrazine?
bis(2,4,6-trimethylphenyl)boranylhydrazine has a molecular weight of 280.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)boranylhydrazine is sourced from PubChem (CID 101113237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).