toluene;pentakis(1,2-xylene)

C47H58 — CID 173348315

IUPACtoluene;pentakis(1,2-xylene)
SMILESCc1ccccc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/5C8H10.C7H8/c5*1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h5*3-6H,1-2H3;2-6H,1H3
InChIKeyBAADEUBEABZEAZ-UHFFFAOYSA-N
MW622.98 g/mol
LogP13.51
Rot. Bonds

About toluene;pentakis(1,2-xylene)

toluene;pentakis(1,2-xylene) (PubChem CID 173348315) has the molecular formula C47H58 and a molecular weight of 622.98 g/mol. Its IUPAC name is toluene;pentakis(1,2-xylene).

Molecular Properties

Compound Nametoluene;pentakis(1,2-xylene)
PubChem CID173348315
Molecular FormulaC47H58
Molecular Weight622.98 g/mol
Exact Mass622.45
IUPAC Nametoluene;pentakis(1,2-xylene)
SMILESCc1ccccc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/5C8H10.C7H8/c5*1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h5*3-6H,1-2H3;2-6H,1H3
InChIKeyBAADEUBEABZEAZ-UHFFFAOYSA-N
XLogP13.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.98
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of toluene;pentakis(1,2-xylene)?
The IUPAC name of toluene;pentakis(1,2-xylene) (CID 173348315) is toluene;pentakis(1,2-xylene).
What is the SMILES notation for toluene;pentakis(1,2-xylene)?
The canonical SMILES for toluene;pentakis(1,2-xylene) is Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of toluene;pentakis(1,2-xylene)?
The InChIKey is BAADEUBEABZEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H10.C7H8/c5*1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h5*3-6H,1-2H3;2-6H,1H3.
What are the key properties of toluene;pentakis(1,2-xylene)?
toluene;pentakis(1,2-xylene) has a molecular weight of 622.98 g/mol, XLogP of 13.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;pentakis(1,2-xylene) is sourced from PubChem (CID 173348315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).