thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane

C22H25BS — CID 70189705

IUPACthiophen-2-yl-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2cccs2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C22H25BS/c1-14-10-16(3)21(17(4)11-14)23(20-8-7-9-24-20)22-18(5)12-15(2)13-19(22)6/h7-13H,1-6H3
InChIKeyZOLVGVAIBSPDOF-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.11
Rot. Bonds3

About thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane

thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane (PubChem CID 70189705) has the molecular formula C22H25BS and a molecular weight of 332.32 g/mol. Its IUPAC name is thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Namethiophen-2-yl-bis(2,4,6-trimethylphenyl)borane
PubChem CID70189705
Molecular FormulaC22H25BS
Molecular Weight332.32 g/mol
Exact Mass332.18
IUPAC Namethiophen-2-yl-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2cccs2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C22H25BS/c1-14-10-16(3)21(17(4)11-14)23(20-8-7-9-24-20)22-18(5)12-15(2)13-19(22)6/h7-13H,1-6H3
InChIKeyZOLVGVAIBSPDOF-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane (CID 70189705) is thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2cccs2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is ZOLVGVAIBSPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BS/c1-14-10-16(3)21(17(4)11-14)23(20-8-7-9-24-20)22-18(5)12-15(2)13-19(22)6/h7-13H,1-6H3.
What are the key properties of thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane?
thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 332.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 70189705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).