(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene

C26H30 — CID 140921791

IUPAC(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
SMILESCC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H30/c1-25(2,19-22-13-7-4-8-14-22)26(3,20-23-15-9-5-10-16-23)21-24-17-11-6-12-18-24/h4-18H,19-21H2,1-3H3
InChIKeyUGPWHJJAOYLRLQ-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.75
Rot. Bonds7

About (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene

(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene (PubChem CID 140921791) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene.

Molecular Properties

Compound Name(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
PubChem CID140921791
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
SMILESCC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H30/c1-25(2,19-22-13-7-4-8-14-22)26(3,20-23-15-9-5-10-16-23)21-24-17-11-6-12-18-24/h4-18H,19-21H2,1-3H3
InChIKeyUGPWHJJAOYLRLQ-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)
CID 161310699
carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium
CID 159776483
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
(2-ethyl-2-methylbutyl)benzene
CID 123641908
CID 175000426
CID 175000426
(2-methoxy-2-methylpropyl)benzene
CID 3842751
azane;2,2-dimethylbutylbenzene
CID 175285583
dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane
CID 147576480
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene?
The IUPAC name of (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene (CID 140921791) is (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene.
What is the SMILES notation for (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene?
The canonical SMILES for (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene is CC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene?
The InChIKey is UGPWHJJAOYLRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-25(2,19-22-13-7-4-8-14-22)26(3,20-23-15-9-5-10-16-23)21-24-17-11-6-12-18-24/h4-18H,19-21H2,1-3H3.
What are the key properties of (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene?
(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene has a molecular weight of 342.53 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene is sourced from PubChem (CID 140921791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).