tribenzylgallane

C21H21Ga — CID 15820404

IUPACtribenzylgallane
SMILESc1ccc(C[Ga](Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/3C7H7.Ga/c3*1-7-5-3-2-4-6-7;/h3*2-6H,1H2;
InChIKeyUGTJJCIDEXXVQY-UHFFFAOYSA-N
MW343.12 g/mol
LogP4.83
Rot. Bonds6

About tribenzylgallane

tribenzylgallane (PubChem CID 15820404) has the molecular formula C21H21Ga and a molecular weight of 343.12 g/mol. Its IUPAC name is tribenzylgallane.

Molecular Properties

Compound Nametribenzylgallane
PubChem CID15820404
Molecular FormulaC21H21Ga
Molecular Weight343.12 g/mol
Exact Mass342.09
IUPAC Nametribenzylgallane
SMILESc1ccc(C[Ga](Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/3C7H7.Ga/c3*1-7-5-3-2-4-6-7;/h3*2-6H,1H2;
InChIKeyUGTJJCIDEXXVQY-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tribenzylgallane?
The IUPAC name of tribenzylgallane (CID 15820404) is tribenzylgallane.
What is the SMILES notation for tribenzylgallane?
The canonical SMILES for tribenzylgallane is c1ccc(C[Ga](Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of tribenzylgallane?
The InChIKey is UGTJJCIDEXXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7.Ga/c3*1-7-5-3-2-4-6-7;/h3*2-6H,1H2;.
What are the key properties of tribenzylgallane?
tribenzylgallane has a molecular weight of 343.12 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzylgallane is sourced from PubChem (CID 15820404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).