ethane;1,3,5-tris(2-methylphenyl)benzene

C33H42 — CID 157145659

IUPACethane;1,3,5-tris(2-methylphenyl)benzene
SMILESCC.CC.CC.Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2ccccc2C)c1
InChIInChI=1S/C27H24.3C2H6/c1-19-10-4-7-13-25(19)22-16-23(26-14-8-5-11-20(26)2)18-24(17-22)27-15-9-6-12-21(27)3;3*1-2/h4-18H,1-3H3;3*1-2H3
InChIKeyAKRDQVKZLSYOSZ-UHFFFAOYSA-N
MW438.70 g/mol
LogP10.69
Rot. Bonds3

About ethane;1,3,5-tris(2-methylphenyl)benzene

ethane;1,3,5-tris(2-methylphenyl)benzene (PubChem CID 157145659) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is ethane;1,3,5-tris(2-methylphenyl)benzene.

Molecular Properties

Compound Nameethane;1,3,5-tris(2-methylphenyl)benzene
PubChem CID157145659
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Nameethane;1,3,5-tris(2-methylphenyl)benzene
SMILESCC.CC.CC.Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2ccccc2C)c1
InChIInChI=1S/C27H24.3C2H6/c1-19-10-4-7-13-25(19)22-16-23(26-14-8-5-11-20(26)2)18-24(17-22)27-15-9-6-12-21(27)3;3*1-2/h4-18H,1-3H3;3*1-2H3
InChIKeyAKRDQVKZLSYOSZ-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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Related Compounds

1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene
CID 171724234

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-tris(2-methylphenyl)benzene?
The IUPAC name of ethane;1,3,5-tris(2-methylphenyl)benzene (CID 157145659) is ethane;1,3,5-tris(2-methylphenyl)benzene.
What is the SMILES notation for ethane;1,3,5-tris(2-methylphenyl)benzene?
The canonical SMILES for ethane;1,3,5-tris(2-methylphenyl)benzene is CC.CC.CC.Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2ccccc2C)c1.
What is the InChIKey of ethane;1,3,5-tris(2-methylphenyl)benzene?
The InChIKey is AKRDQVKZLSYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24.3C2H6/c1-19-10-4-7-13-25(19)22-16-23(26-14-8-5-11-20(26)2)18-24(17-22)27-15-9-6-12-21(27)3;3*1-2/h4-18H,1-3H3;3*1-2H3.
What are the key properties of ethane;1,3,5-tris(2-methylphenyl)benzene?
ethane;1,3,5-tris(2-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(2-methylphenyl)benzene is sourced from PubChem (CID 157145659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).