2-(2,6-ditert-butylnaphthalen-1-yl)thiophene

C22H26S — CID 169050425

IUPAC2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
SMILESCC(C)(C)c1ccc2c(-c3cccs3)c(C(C)(C)C)ccc2c1
InChIInChI=1S/C22H26S/c1-21(2,3)16-10-11-17-15(14-16)9-12-18(22(4,5)6)20(17)19-8-7-13-23-19/h7-14H,1-6H3
InChIKeyKMKDZWAVWIOERM-UHFFFAOYSA-N
MW322.52 g/mol
LogP7.16
Rot. Bonds1

About 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene

2-(2,6-ditert-butylnaphthalen-1-yl)thiophene (PubChem CID 169050425) has the molecular formula C22H26S and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene.

Molecular Properties

Compound Name2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
PubChem CID169050425
Molecular FormulaC22H26S
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Name2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
SMILESCC(C)(C)c1ccc2c(-c3cccs3)c(C(C)(C)C)ccc2c1
InChIInChI=1S/C22H26S/c1-21(2,3)16-10-11-17-15(14-16)9-12-18(22(4,5)6)20(17)19-8-7-13-23-19/h7-14H,1-6H3
InChIKeyKMKDZWAVWIOERM-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-ditert-butylnaphthalen-1-yl)furan
CID 169050461
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
CID 118283497
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
CID 135062583
2-(2-tert-butyl-5-methylphenyl)thiophene
CID 70251318
2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene
CID 118119685
2-(2,7-ditert-butylphenanthren-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 57206677
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene
CID 173284561
2-bromo-6-(2,6-ditert-butylanthracen-9-yl)pyridine
CID 131964922
6-tert-butyl-1-methylnaphthalene
CID 3019609

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene?
The IUPAC name of 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene (CID 169050425) is 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene.
What is the SMILES notation for 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene?
The canonical SMILES for 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene is CC(C)(C)c1ccc2c(-c3cccs3)c(C(C)(C)C)ccc2c1.
What is the InChIKey of 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene?
The InChIKey is KMKDZWAVWIOERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26S/c1-21(2,3)16-10-11-17-15(14-16)9-12-18(22(4,5)6)20(17)19-8-7-13-23-19/h7-14H,1-6H3.
What are the key properties of 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene?
2-(2,6-ditert-butylnaphthalen-1-yl)thiophene has a molecular weight of 322.52 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-ditert-butylnaphthalen-1-yl)thiophene is sourced from PubChem (CID 169050425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).