methane;tris(1,3,5-trichlorobenzene)

C19H13Cl9 — CID 175444750

IUPACmethane;tris(1,3,5-trichlorobenzene)
SMILESC.Clc1cc(Cl)cc(Cl)c1.Clc1cc(Cl)cc(Cl)c1.Clc1cc(Cl)cc(Cl)c1
InChIInChI=1S/3C6H3Cl3.CH4/c3*7-4-1-5(8)3-6(9)2-4;/h3*1-3H;1H4
InChIKeyOUKJEDOQTVBFOQ-UHFFFAOYSA-N
MW560.39 g/mol
LogP11.58
Rot. Bonds

About methane;tris(1,3,5-trichlorobenzene)

methane;tris(1,3,5-trichlorobenzene) (PubChem CID 175444750) has the molecular formula C19H13Cl9 and a molecular weight of 560.39 g/mol. Its IUPAC name is methane;tris(1,3,5-trichlorobenzene).

Molecular Properties

Compound Namemethane;tris(1,3,5-trichlorobenzene)
PubChem CID175444750
Molecular FormulaC19H13Cl9
Molecular Weight560.39 g/mol
Exact Mass555.82
IUPAC Namemethane;tris(1,3,5-trichlorobenzene)
SMILESC.Clc1cc(Cl)cc(Cl)c1.Clc1cc(Cl)cc(Cl)c1.Clc1cc(Cl)cc(Cl)c1
InChIInChI=1S/3C6H3Cl3.CH4/c3*7-4-1-5(8)3-6(9)2-4;/h3*1-3H;1H4
InChIKeyOUKJEDOQTVBFOQ-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.39
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;tris(1,3,5-trichlorobenzene)?
The IUPAC name of methane;tris(1,3,5-trichlorobenzene) (CID 175444750) is methane;tris(1,3,5-trichlorobenzene).
What is the SMILES notation for methane;tris(1,3,5-trichlorobenzene)?
The canonical SMILES for methane;tris(1,3,5-trichlorobenzene) is C.Clc1cc(Cl)cc(Cl)c1.Clc1cc(Cl)cc(Cl)c1.Clc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methane;tris(1,3,5-trichlorobenzene)?
The InChIKey is OUKJEDOQTVBFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H3Cl3.CH4/c3*7-4-1-5(8)3-6(9)2-4;/h3*1-3H;1H4.
What are the key properties of methane;tris(1,3,5-trichlorobenzene)?
methane;tris(1,3,5-trichlorobenzene) has a molecular weight of 560.39 g/mol, XLogP of 11.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1,3,5-trichlorobenzene) is sourced from PubChem (CID 175444750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).