1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene

C27H26 — CID 71579530

IUPAC1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene
SMILESCc1ccccc1-c1ccc2c(-c3ccc(C(C)(C)C)cc3)cccc2c1
InChIInChI=1S/C27H26/c1-19-8-5-6-10-24(19)22-14-17-26-21(18-22)9-7-11-25(26)20-12-15-23(16-13-20)27(2,3)4/h5-18H,1-4H3
InChIKeyYMDZUOGIXLHGKX-UHFFFAOYSA-N
MW350.51 g/mol
LogP7.78
Rot. Bonds2

About 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene

1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene (PubChem CID 71579530) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene
PubChem CID71579530
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene
SMILESCc1ccccc1-c1ccc2c(-c3ccc(C(C)(C)C)cc3)cccc2c1
InChIInChI=1S/C27H26/c1-19-8-5-6-10-24(19)22-14-17-26-21(18-22)9-7-11-25(26)20-12-15-23(16-13-20)27(2,3)4/h5-18H,1-4H3
InChIKeyYMDZUOGIXLHGKX-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene?
The IUPAC name of 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene (CID 71579530) is 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene.
What is the SMILES notation for 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene?
The canonical SMILES for 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene is Cc1ccccc1-c1ccc2c(-c3ccc(C(C)(C)C)cc3)cccc2c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene?
The InChIKey is YMDZUOGIXLHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-19-8-5-6-10-24(19)22-14-17-26-21(18-22)9-7-11-25(26)20-12-15-23(16-13-20)27(2,3)4/h5-18H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene?
1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene has a molecular weight of 350.51 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-6-(2-methylphenyl)naphthalene is sourced from PubChem (CID 71579530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).