1-tert-butyl-2,6-diphenylnaphthalene

C26H24 — CID 169050130

IUPAC1-tert-butyl-2,6-diphenylnaphthalene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C26H24/c1-26(2,3)25-23(20-12-8-5-9-13-20)17-15-22-18-21(14-16-24(22)25)19-10-6-4-7-11-19/h4-18H,1-3H3
InChIKeyYODUTYCYBLUIPB-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.47
Rot. Bonds2

About 1-tert-butyl-2,6-diphenylnaphthalene

1-tert-butyl-2,6-diphenylnaphthalene (PubChem CID 169050130) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-tert-butyl-2,6-diphenylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-2,6-diphenylnaphthalene
PubChem CID169050130
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name1-tert-butyl-2,6-diphenylnaphthalene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C26H24/c1-26(2,3)25-23(20-12-8-5-9-13-20)17-15-22-18-21(14-16-24(22)25)19-10-6-4-7-11-19/h4-18H,1-3H3
InChIKeyYODUTYCYBLUIPB-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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Related Compounds

1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 175765558
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 168803765
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
3-phenylbenzo[a]anthracene
CID 59412661
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
CID 123351108
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
10-tert-butyl-3-phenylphenanthrene
CID 164811784
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 161108763

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,6-diphenylnaphthalene?
The IUPAC name of 1-tert-butyl-2,6-diphenylnaphthalene (CID 169050130) is 1-tert-butyl-2,6-diphenylnaphthalene.
What is the SMILES notation for 1-tert-butyl-2,6-diphenylnaphthalene?
The canonical SMILES for 1-tert-butyl-2,6-diphenylnaphthalene is CC(C)(C)c1c(-c2ccccc2)ccc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 1-tert-butyl-2,6-diphenylnaphthalene?
The InChIKey is YODUTYCYBLUIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-26(2,3)25-23(20-12-8-5-9-13-20)17-15-22-18-21(14-16-24(22)25)19-10-6-4-7-11-19/h4-18H,1-3H3.
What are the key properties of 1-tert-butyl-2,6-diphenylnaphthalene?
1-tert-butyl-2,6-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 1-tert-butyl-2,6-diphenylnaphthalene is sourced from PubChem (CID 169050130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).