1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene

C28H26 — CID 23565947

IUPAC1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
SMILESc1ccc(Cc2ccc(CCc3ccc(Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26/c1-3-7-25(8-4-1)21-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)22-26-9-5-2-6-10-26/h1-10,13-20H,11-12,21-22H2
InChIKeyHLLYRQOEDAMDJH-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.65
Rot. Bonds7

About 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene

1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene (PubChem CID 23565947) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
PubChem CID23565947
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
SMILESc1ccc(Cc2ccc(CCc3ccc(Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26/c1-3-7-25(8-4-1)21-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)22-26-9-5-2-6-10-26/h1-10,13-20H,11-12,21-22H2
InChIKeyHLLYRQOEDAMDJH-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
hafnium;2-phenylethylbenzene
CID 173109801
1,4-bis(4-benzylphenyl)benzene
CID 58251041
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
potassium;benzylbenzene;hydride
CID 173011788
ethane;methane;2-phenylethylbenzene
CID 158652330
1,4-bis(3-phenylpropyl)benzene
CID 59467322
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
[4-(2-phenylethyl)phenyl]methanethiol
CID 88715402

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene?
The IUPAC name of 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene (CID 23565947) is 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene.
What is the SMILES notation for 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene?
The canonical SMILES for 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene is c1ccc(Cc2ccc(CCc3ccc(Cc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene?
The InChIKey is HLLYRQOEDAMDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-3-7-25(8-4-1)21-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)22-26-9-5-2-6-10-26/h1-10,13-20H,11-12,21-22H2.
What are the key properties of 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene?
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene has a molecular weight of 362.52 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene is sourced from PubChem (CID 23565947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).