methane;pentakis(1,4-xylene)

C41H54 — CID 160760083

IUPACmethane;pentakis(1,4-xylene)
SMILESC.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1
InChIInChI=1S/5C8H10.CH4/c5*1-7-3-5-8(2)6-4-7;/h5*3-6H,1-2H3;1H4
InChIKeyRXYGASWRFMTVLD-UHFFFAOYSA-N
MW546.88 g/mol
LogP12.15
Rot. Bonds

About methane;pentakis(1,4-xylene)

methane;pentakis(1,4-xylene) (PubChem CID 160760083) has the molecular formula C41H54 and a molecular weight of 546.88 g/mol. Its IUPAC name is methane;pentakis(1,4-xylene).

Molecular Properties

Compound Namemethane;pentakis(1,4-xylene)
PubChem CID160760083
Molecular FormulaC41H54
Molecular Weight546.88 g/mol
Exact Mass546.42
IUPAC Namemethane;pentakis(1,4-xylene)
SMILESC.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1
InChIInChI=1S/5C8H10.CH4/c5*1-7-3-5-8(2)6-4-7;/h5*3-6H,1-2H3;1H4
InChIKeyRXYGASWRFMTVLD-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.88
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fenbutatin oxide
CID 16683004
Tris(4-methylphenyl)stibine
CID 79371
Rubrene
CID 68203
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Stibene, tri-o-tolyl-
CID 301718
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, bromide (1:1)
CID 11797662
p-Quaterphenyl
CID 8677
Tetraphenylethylene
CID 69437
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 150925
1,1,2,2-Tetraphenylethane
CID 136454

Frequently Asked Questions

What is the IUPAC name of methane;pentakis(1,4-xylene)?
The IUPAC name of methane;pentakis(1,4-xylene) (CID 160760083) is methane;pentakis(1,4-xylene).
What is the SMILES notation for methane;pentakis(1,4-xylene)?
The canonical SMILES for methane;pentakis(1,4-xylene) is C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.
What is the InChIKey of methane;pentakis(1,4-xylene)?
The InChIKey is RXYGASWRFMTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H10.CH4/c5*1-7-3-5-8(2)6-4-7;/h5*3-6H,1-2H3;1H4.
What are the key properties of methane;pentakis(1,4-xylene)?
methane;pentakis(1,4-xylene) has a molecular weight of 546.88 g/mol, XLogP of 12.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pentakis(1,4-xylene) is sourced from PubChem (CID 160760083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).