methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane

C20H21B — CID 20689823

IUPACmethyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
SMILESCB(c1c(C)cc(C)cc1C)c1cccc2ccccc12
InChIInChI=1S/C20H21B/c1-14-12-15(2)20(16(3)13-14)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3
InChIKeyQTLCMYQZBMBTCY-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.00
Rot. Bonds2

About methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane

methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane (PubChem CID 20689823) has the molecular formula C20H21B and a molecular weight of 272.20 g/mol. Its IUPAC name is methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Namemethyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
PubChem CID20689823
Molecular FormulaC20H21B
Molecular Weight272.20 g/mol
Exact Mass272.17
IUPAC Namemethyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
SMILESCB(c1c(C)cc(C)cc1C)c1cccc2ccccc12
InChIInChI=1S/C20H21B/c1-14-12-15(2)20(16(3)13-14)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3
InChIKeyQTLCMYQZBMBTCY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane?
The IUPAC name of methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane (CID 20689823) is methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane?
The canonical SMILES for methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane is CB(c1c(C)cc(C)cc1C)c1cccc2ccccc12.
What is the InChIKey of methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane?
The InChIKey is QTLCMYQZBMBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21B/c1-14-12-15(2)20(16(3)13-14)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3.
What are the key properties of methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane?
methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane has a molecular weight of 272.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 20689823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).