1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene

C33H36 — CID 101188647

IUPAC1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
SMILESCC(C)(C)c1ccc(CC(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C33H36/c1-32(2,3)31-21-19-30(20-22-31)26-33(23-27-13-7-4-8-14-27,24-28-15-9-5-10-16-28)25-29-17-11-6-12-18-29/h4-22H,23-26H2,1-3H3
InChIKeyUTINJKRSDYIQPO-UHFFFAOYSA-N
MW432.65 g/mol
LogP8.24
Rot. Bonds8

About 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene

1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene (PubChem CID 101188647) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
PubChem CID101188647
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Name1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
SMILESCC(C)(C)c1ccc(CC(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C33H36/c1-32(2,3)31-21-19-30(20-22-31)26-33(23-27-13-7-4-8-14-27,24-28-15-9-5-10-16-28)25-29-17-11-6-12-18-29/h4-22H,23-26H2,1-3H3
InChIKeyUTINJKRSDYIQPO-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100
1-[2,2-bis(chloromethyl)butyl]-4-tert-butylbenzene
CID 79447238
2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
CID 63522510
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
CID 162424412
CID 162424412
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene (CID 101188647) is 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene is CC(C)(C)c1ccc(CC(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene?
The InChIKey is UTINJKRSDYIQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36/c1-32(2,3)31-21-19-30(20-22-31)26-33(23-27-13-7-4-8-14-27,24-28-15-9-5-10-16-28)25-29-17-11-6-12-18-29/h4-22H,23-26H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene?
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene has a molecular weight of 432.65 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene is sourced from PubChem (CID 101188647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).