2,7-ditert-butyl-4-methyl-9H-fluorene

C22H28 — CID 11087633

IUPAC2,7-ditert-butyl-4-methyl-9H-fluorene
SMILESCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2
InChIInChI=1S/C22H28/c1-14-10-18(22(5,6)7)13-16-11-15-12-17(21(2,3)4)8-9-19(15)20(14)16/h8-10,12-13H,11H2,1-7H3
InChIKeyFEPXTMGPKRTPOF-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.16
Rot. Bonds

About 2,7-ditert-butyl-4-methyl-9H-fluorene

2,7-ditert-butyl-4-methyl-9H-fluorene (PubChem CID 11087633) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2,7-ditert-butyl-4-methyl-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-4-methyl-9H-fluorene
PubChem CID11087633
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name2,7-ditert-butyl-4-methyl-9H-fluorene
SMILESCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2
InChIInChI=1S/C22H28/c1-14-10-18(22(5,6)7)13-16-11-15-12-17(21(2,3)4)8-9-19(15)20(14)16/h8-10,12-13H,11H2,1-7H3
InChIKeyFEPXTMGPKRTPOF-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-4-methyl-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-4-methyl-9H-fluorene (CID 11087633) is 2,7-ditert-butyl-4-methyl-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-4-methyl-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-4-methyl-9H-fluorene is Cc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2.
What is the InChIKey of 2,7-ditert-butyl-4-methyl-9H-fluorene?
The InChIKey is FEPXTMGPKRTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-14-10-18(22(5,6)7)13-16-11-15-12-17(21(2,3)4)8-9-19(15)20(14)16/h8-10,12-13H,11H2,1-7H3.
What are the key properties of 2,7-ditert-butyl-4-methyl-9H-fluorene?
2,7-ditert-butyl-4-methyl-9H-fluorene has a molecular weight of 292.47 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-4-methyl-9H-fluorene is sourced from PubChem (CID 11087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).