diphenylalumanylium

C12H10Al+ — CID 16715480

IUPACdiphenylalumanylium
SMILESc1ccc([Al+]c2ccccc2)cc1
InChIInChI=1S/2C6H5.Al/c2*1-2-4-6-5-3-1;/h2*1-5H;/q;;+1
InChIKeyALOVOJMIAIDHCG-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.34
Rot. Bonds2

About diphenylalumanylium

diphenylalumanylium (PubChem CID 16715480) has the molecular formula C12H10Al+ and a molecular weight of 181.19 g/mol. Its IUPAC name is diphenylalumanylium.

Molecular Properties

Compound Namediphenylalumanylium
PubChem CID16715480
Molecular FormulaC12H10Al+
Molecular Weight181.19 g/mol
Exact Mass181.06
IUPAC Namediphenylalumanylium
SMILESc1ccc([Al+]c2ccccc2)cc1
InChIInChI=1S/2C6H5.Al/c2*1-2-4-6-5-3-1;/h2*1-5H;/q;;+1
InChIKeyALOVOJMIAIDHCG-UHFFFAOYSA-N
XLogP1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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benzene;bis(1,1'-biphenyl);methane
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1,1'-biphenyl;hydroiodide
CID 66586334
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CID 174363765

Frequently Asked Questions

What is the IUPAC name of diphenylalumanylium?
The IUPAC name of diphenylalumanylium (CID 16715480) is diphenylalumanylium.
What is the SMILES notation for diphenylalumanylium?
The canonical SMILES for diphenylalumanylium is c1ccc([Al+]c2ccccc2)cc1.
What is the InChIKey of diphenylalumanylium?
The InChIKey is ALOVOJMIAIDHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.Al/c2*1-2-4-6-5-3-1;/h2*1-5H;/q;;+1.
What are the key properties of diphenylalumanylium?
diphenylalumanylium has a molecular weight of 181.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylalumanylium is sourced from PubChem (CID 16715480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).