1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene

C26H30 — CID 19090109

IUPAC1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C26H30/c1-17-8-11-23(20(4)14-17)26(7,24-12-9-18(2)15-21(24)5)25-13-10-19(3)16-22(25)6/h8-16H,1-7H3
InChIKeyRSIRQMSFQNLAFR-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.89
Rot. Bonds3

About 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene

1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene (PubChem CID 19090109) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
PubChem CID19090109
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C26H30/c1-17-8-11-23(20(4)14-17)26(7,24-12-9-18(2)15-21(24)5)25-13-10-19(3)16-22(25)6/h8-16H,1-7H3
InChIKeyRSIRQMSFQNLAFR-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene (CID 19090109) is 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene is Cc1ccc(C(C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The InChIKey is RSIRQMSFQNLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-17-8-11-23(20(4)14-17)26(7,24-12-9-18(2)15-21(24)5)25-13-10-19(3)16-22(25)6/h8-16H,1-7H3.
What are the key properties of 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene has a molecular weight of 342.53 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 19090109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).