2-tert-butyl-1,4-diphenylnaphthalene

C26H24 — CID 10759331

IUPAC2-tert-butyl-1,4-diphenylnaphthalene
SMILESCC(C)(C)c1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H24/c1-26(2,3)24-18-23(19-12-6-4-7-13-19)21-16-10-11-17-22(21)25(24)20-14-8-5-9-15-20/h4-18H,1-3H3
InChIKeyQZPHYLRPNLGZKA-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.47
Rot. Bonds2

About 2-tert-butyl-1,4-diphenylnaphthalene

2-tert-butyl-1,4-diphenylnaphthalene (PubChem CID 10759331) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-tert-butyl-1,4-diphenylnaphthalene.

Molecular Properties

Compound Name2-tert-butyl-1,4-diphenylnaphthalene
PubChem CID10759331
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name2-tert-butyl-1,4-diphenylnaphthalene
SMILESCC(C)(C)c1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H24/c1-26(2,3)24-18-23(19-12-6-4-7-13-19)21-16-10-11-17-22(21)25(24)20-14-8-5-9-15-20/h4-18H,1-3H3
InChIKeyQZPHYLRPNLGZKA-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-diphenylnaphthalene?
The IUPAC name of 2-tert-butyl-1,4-diphenylnaphthalene (CID 10759331) is 2-tert-butyl-1,4-diphenylnaphthalene.
What is the SMILES notation for 2-tert-butyl-1,4-diphenylnaphthalene?
The canonical SMILES for 2-tert-butyl-1,4-diphenylnaphthalene is CC(C)(C)c1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-1,4-diphenylnaphthalene?
The InChIKey is QZPHYLRPNLGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-26(2,3)24-18-23(19-12-6-4-7-13-19)21-16-10-11-17-22(21)25(24)20-14-8-5-9-15-20/h4-18H,1-3H3.
What are the key properties of 2-tert-butyl-1,4-diphenylnaphthalene?
2-tert-butyl-1,4-diphenylnaphthalene has a molecular weight of 336.48 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-diphenylnaphthalene is sourced from PubChem (CID 10759331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).