2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene

C28H28 — CID 86082412

IUPAC2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
SMILESCC(C)(C)c1ccc(Cc2ccccc2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H28/c1-28(2,3)27-16-13-21(14-17-27)18-25-10-6-7-11-26(25)20-22-12-15-23-8-4-5-9-24(23)19-22/h4-17,19H,18,20H2,1-3H3
InChIKeyLHECAUUTFUNZAR-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.32
Rot. Bonds4

About 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene

2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene (PubChem CID 86082412) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene.

Molecular Properties

Compound Name2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
PubChem CID86082412
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
SMILESCC(C)(C)c1ccc(Cc2ccccc2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H28/c1-28(2,3)27-16-13-21(14-17-27)18-25-10-6-7-11-26(25)20-22-12-15-23-8-4-5-9-24(23)19-22/h4-17,19H,18,20H2,1-3H3
InChIKeyLHECAUUTFUNZAR-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-benzylnaphthalene
CID 11948
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
10-[(4-tert-butylphenyl)methyl]-2,3-dimethoxyphenanthrene
CID 56931273
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
2-[(4-tert-butylphenyl)methyl]phenanthrene;1-[4-[(3,5-diphenylphenyl)methyl]phenyl]naphthalene;1,3-diphenyl-5-[(4-phenylphenyl)methyl]benzene;1-[4-(naphthalen-2-ylmethyl)phenyl]naphthalene;1-[3-[(3-naphthalen-1-ylphenyl)methyl]phenyl]naphthalene;1-[4-[(3-phenylphenyl)methyl]phenyl]naphthalene
CID 160912130
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
CID 159258781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene?
The IUPAC name of 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene (CID 86082412) is 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene.
What is the SMILES notation for 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene?
The canonical SMILES for 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene is CC(C)(C)c1ccc(Cc2ccccc2Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene?
The InChIKey is LHECAUUTFUNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28/c1-28(2,3)27-16-13-21(14-17-27)18-25-10-6-7-11-26(25)20-22-12-15-23-8-4-5-9-24(23)19-22/h4-17,19H,18,20H2,1-3H3.
What are the key properties of 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene?
2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene has a molecular weight of 364.53 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene is sourced from PubChem (CID 86082412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).