2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan

C26H28O2 — CID 169050457

IUPAC2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan
SMILESCC(C)(C)c1cc2cc(C(C)(C)C)c(-c3ccco3)cc2cc1-c1ccco1
InChIInChI=1S/C26H28O2/c1-25(2,3)21-15-18-16-22(26(4,5)6)20(24-10-8-12-28-24)14-17(18)13-19(21)23-9-7-11-27-23/h7-16H,1-6H3
InChIKeyNVYJQWZGIQUABQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.95
Rot. Bonds2

About 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan

2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan (PubChem CID 169050457) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan.

Molecular Properties

Compound Name2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan
PubChem CID169050457
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan
SMILESCC(C)(C)c1cc2cc(C(C)(C)C)c(-c3ccco3)cc2cc1-c1ccco1
InChIInChI=1S/C26H28O2/c1-25(2,3)21-15-18-16-22(26(4,5)6)20(24-10-8-12-28-24)14-17(18)13-19(21)23-9-7-11-27-23/h7-16H,1-6H3
InChIKeyNVYJQWZGIQUABQ-UHFFFAOYSA-N
XLogP7.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan?
The IUPAC name of 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan (CID 169050457) is 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan.
What is the SMILES notation for 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan?
The canonical SMILES for 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan is CC(C)(C)c1cc2cc(C(C)(C)C)c(-c3ccco3)cc2cc1-c1ccco1.
What is the InChIKey of 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan?
The InChIKey is NVYJQWZGIQUABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-25(2,3)21-15-18-16-22(26(4,5)6)20(24-10-8-12-28-24)14-17(18)13-19(21)23-9-7-11-27-23/h7-16H,1-6H3.
What are the key properties of 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan?
2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan has a molecular weight of 372.51 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan is sourced from PubChem (CID 169050457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).