1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene

C41H52 — CID 163798434

IUPAC1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCCc1cc(C(C)c2cc(C(C)c3cc(C(C)c4cc(C)c(C)cc4C)c(C)cc3C)c(C)cc2C)c(C)cc1C
InChIInChI=1S/C41H52/c1-14-35-20-37(27(6)16-25(35)4)33(12)39-22-41(31(10)18-29(39)8)34(13)40-21-38(28(7)17-30(40)9)32(11)36-19-24(3)23(2)15-26(36)5/h15-22,32-34H,14H2,1-13H3
InChIKeyNCVZOLXWTOEKPM-UHFFFAOYSA-N
MW544.87 g/mol
LogP11.48
Rot. Bonds7

About 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene

1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene (PubChem CID 163798434) has the molecular formula C41H52 and a molecular weight of 544.87 g/mol. Its IUPAC name is 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
PubChem CID163798434
Molecular FormulaC41H52
Molecular Weight544.87 g/mol
Exact Mass544.41
IUPAC Name1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCCc1cc(C(C)c2cc(C(C)c3cc(C(C)c4cc(C)c(C)cc4C)c(C)cc3C)c(C)cc2C)c(C)cc1C
InChIInChI=1S/C41H52/c1-14-35-20-37(27(6)16-25(35)4)33(12)39-22-41(31(10)18-29(39)8)34(13)40-21-38(28(7)17-30(40)9)32(11)36-19-24(3)23(2)15-26(36)5/h15-22,32-34H,14H2,1-13H3
InChIKeyNCVZOLXWTOEKPM-UHFFFAOYSA-N
XLogP11.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.87
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
1-ethyl-2-methyl-5-propan-2-yl-4-propylbenzene
CID 123747776
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
1-(1-iodoethyl)-2,4,5-trimethylbenzene
CID 142348913
2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
3-(2,4,5-trimethylphenyl)butanoic acid
CID 4206732
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
1-ethyl-2,5-dimethyl-4-(5-methylhexyl)benzene
CID 143814154
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene (CID 163798434) is 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene is CCc1cc(C(C)c2cc(C(C)c3cc(C(C)c4cc(C)c(C)cc4C)c(C)cc3C)c(C)cc2C)c(C)cc1C.
What is the InChIKey of 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The InChIKey is NCVZOLXWTOEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52/c1-14-35-20-37(27(6)16-25(35)4)33(12)39-22-41(31(10)18-29(39)8)34(13)40-21-38(28(7)17-30(40)9)32(11)36-19-24(3)23(2)15-26(36)5/h15-22,32-34H,14H2,1-13H3.
What are the key properties of 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene has a molecular weight of 544.87 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 163798434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).