2-(1-adamantyl)-6-tert-butyldibenzofuran

C26H30O — CID 170924887

IUPAC2-(1-adamantyl)-6-tert-butyldibenzofuran
SMILESCC(C)(C)c1cccc2c1oc1ccc(C34CC5CC(CC(C5)C3)C4)cc12
InChIInChI=1S/C26H30O/c1-25(2,3)22-6-4-5-20-21-12-19(7-8-23(21)27-24(20)22)26-13-16-9-17(14-26)11-18(10-16)15-26/h4-8,12,16-18H,9-11,13-15H2,1-3H3
InChIKeyFBJUWEUUXLQHIN-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.35
Rot. Bonds1

About 2-(1-adamantyl)-6-tert-butyldibenzofuran

2-(1-adamantyl)-6-tert-butyldibenzofuran (PubChem CID 170924887) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-tert-butyldibenzofuran.

Molecular Properties

Compound Name2-(1-adamantyl)-6-tert-butyldibenzofuran
PubChem CID170924887
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name2-(1-adamantyl)-6-tert-butyldibenzofuran
SMILESCC(C)(C)c1cccc2c1oc1ccc(C34CC5CC(CC(C5)C3)C4)cc12
InChIInChI=1S/C26H30O/c1-25(2,3)22-6-4-5-20-21-12-19(7-8-23(21)27-24(20)22)26-13-16-9-17(14-26)11-18(10-16)15-26/h4-8,12,16-18H,9-11,13-15H2,1-3H3
InChIKeyFBJUWEUUXLQHIN-UHFFFAOYSA-N
XLogP7.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran
CID 170924880
6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 164768089
6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
CID 174311871
8-[4-[4,6-bis[4-(1-adamantyl)phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-carbonitrile
CID 168808020
8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran
CID 171722121
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170924890
8-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-carbonitrile
CID 174078764
6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile
CID 174078954
2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
6-N,25-N-bis(6-tert-butyldibenzofuran-2-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360939
8-[4-[4-[2-[4-(1-adamantyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-carbonitrile
CID 168808257
3-[5-(1-adamantyl)-2-tert-butylphenyl]pyridine
CID 170924955

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-tert-butyldibenzofuran?
The IUPAC name of 2-(1-adamantyl)-6-tert-butyldibenzofuran (CID 170924887) is 2-(1-adamantyl)-6-tert-butyldibenzofuran.
What is the SMILES notation for 2-(1-adamantyl)-6-tert-butyldibenzofuran?
The canonical SMILES for 2-(1-adamantyl)-6-tert-butyldibenzofuran is CC(C)(C)c1cccc2c1oc1ccc(C34CC5CC(CC(C5)C3)C4)cc12.
What is the InChIKey of 2-(1-adamantyl)-6-tert-butyldibenzofuran?
The InChIKey is FBJUWEUUXLQHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-25(2,3)22-6-4-5-20-21-12-19(7-8-23(21)27-24(20)22)26-13-16-9-17(14-26)11-18(10-16)15-26/h4-8,12,16-18H,9-11,13-15H2,1-3H3.
What are the key properties of 2-(1-adamantyl)-6-tert-butyldibenzofuran?
2-(1-adamantyl)-6-tert-butyldibenzofuran has a molecular weight of 358.53 g/mol, XLogP of 7.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-tert-butyldibenzofuran is sourced from PubChem (CID 170924887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).