ethane;1,3,5-tris(4-methylphenyl)benzene

C33H42 — CID 91508266

IUPACethane;1,3,5-tris(4-methylphenyl)benzene
SMILESCC.CC.CC.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C27H24.3C2H6/c1-19-4-10-22(11-5-19)25-16-26(23-12-6-20(2)7-13-23)18-27(17-25)24-14-8-21(3)9-15-24;3*1-2/h4-18H,1-3H3;3*1-2H3
InChIKeyIEXKJXXMDIJFTO-UHFFFAOYSA-N
MW438.70 g/mol
LogP10.69
Rot. Bonds3

About ethane;1,3,5-tris(4-methylphenyl)benzene

ethane;1,3,5-tris(4-methylphenyl)benzene (PubChem CID 91508266) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is ethane;1,3,5-tris(4-methylphenyl)benzene.

Molecular Properties

Compound Nameethane;1,3,5-tris(4-methylphenyl)benzene
PubChem CID91508266
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Nameethane;1,3,5-tris(4-methylphenyl)benzene
SMILESCC.CC.CC.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C27H24.3C2H6/c1-19-4-10-22(11-5-19)25-16-26(23-12-6-20(2)7-13-23)18-27(17-25)24-14-8-21(3)9-15-24;3*1-2/h4-18H,1-3H3;3*1-2H3
InChIKeyIEXKJXXMDIJFTO-UHFFFAOYSA-N
XLogP10.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-tris(4-methylphenyl)benzene?
The IUPAC name of ethane;1,3,5-tris(4-methylphenyl)benzene (CID 91508266) is ethane;1,3,5-tris(4-methylphenyl)benzene.
What is the SMILES notation for ethane;1,3,5-tris(4-methylphenyl)benzene?
The canonical SMILES for ethane;1,3,5-tris(4-methylphenyl)benzene is CC.CC.CC.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of ethane;1,3,5-tris(4-methylphenyl)benzene?
The InChIKey is IEXKJXXMDIJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24.3C2H6/c1-19-4-10-22(11-5-19)25-16-26(23-12-6-20(2)7-13-23)18-27(17-25)24-14-8-21(3)9-15-24;3*1-2/h4-18H,1-3H3;3*1-2H3.
What are the key properties of ethane;1,3,5-tris(4-methylphenyl)benzene?
ethane;1,3,5-tris(4-methylphenyl)benzene has a molecular weight of 438.70 g/mol, XLogP of 10.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-tris(4-methylphenyl)benzene is sourced from PubChem (CID 91508266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).