2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane

C19H23B — CID 145390195

IUPAC2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane
SMILESCc1ccc(-c2ccc(B3C(C)(C)C3(C)C)cc2)cc1
InChIInChI=1S/C19H23B/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(2,3)19(20,4)5/h6-13H,1-5H3
InChIKeyYUXCHYXANCPTCS-UHFFFAOYSA-N
MW262.20 g/mol
LogP4.94
Rot. Bonds2

About 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane

2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane (PubChem CID 145390195) has the molecular formula C19H23B and a molecular weight of 262.20 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane
PubChem CID145390195
Molecular FormulaC19H23B
Molecular Weight262.20 g/mol
Exact Mass262.19
IUPAC Name2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane
SMILESCc1ccc(-c2ccc(B3C(C)(C)C3(C)C)cc2)cc1
InChIInChI=1S/C19H23B/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(2,3)19(20,4)5/h6-13H,1-5H3
InChIKeyYUXCHYXANCPTCS-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 54.94
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 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane?
The IUPAC name of 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane (CID 145390195) is 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane?
The canonical SMILES for 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane is Cc1ccc(-c2ccc(B3C(C)(C)C3(C)C)cc2)cc1.
What is the InChIKey of 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane?
The InChIKey is YUXCHYXANCPTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23B/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(2,3)19(20,4)5/h6-13H,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane?
2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane has a molecular weight of 262.20 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane is sourced from PubChem (CID 145390195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).