3,6-ditert-butyl-9H-fluorene

C21H26 — CID 11140437

IUPAC3,6-ditert-butyl-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2
InChIInChI=1S/C21H26/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16/h7-10,12-13H,11H2,1-6H3
InChIKeyIWUHFBNEZZKUEY-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.85
Rot. Bonds

About 3,6-ditert-butyl-9H-fluorene

3,6-ditert-butyl-9H-fluorene (PubChem CID 11140437) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3,6-ditert-butyl-9H-fluorene.

Molecular Properties

Compound Name3,6-ditert-butyl-9H-fluorene
PubChem CID11140437
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name3,6-ditert-butyl-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2
InChIInChI=1S/C21H26/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16/h7-10,12-13H,11H2,1-6H3
InChIKeyIWUHFBNEZZKUEY-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9H-fluorene?
The IUPAC name of 3,6-ditert-butyl-9H-fluorene (CID 11140437) is 3,6-ditert-butyl-9H-fluorene.
What is the SMILES notation for 3,6-ditert-butyl-9H-fluorene?
The canonical SMILES for 3,6-ditert-butyl-9H-fluorene is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2.
What is the InChIKey of 3,6-ditert-butyl-9H-fluorene?
The InChIKey is IWUHFBNEZZKUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16/h7-10,12-13H,11H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-9H-fluorene?
3,6-ditert-butyl-9H-fluorene has a molecular weight of 278.44 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9H-fluorene is sourced from PubChem (CID 11140437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).