2,7-ditert-butyl-9-methylidenefluorene

C22H26 — CID 22935639

IUPAC2,7-ditert-butyl-9-methylidenefluorene
SMILESC=C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C22H26/c1-14-19-12-15(21(2,3)4)8-10-17(19)18-11-9-16(13-20(14)18)22(5,6)7/h8-13H,1H2,2-7H3
InChIKeyFJIJSIPRWMEVGS-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.32
Rot. Bonds

About 2,7-ditert-butyl-9-methylidenefluorene

2,7-ditert-butyl-9-methylidenefluorene (PubChem CID 22935639) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-methylidenefluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-methylidenefluorene
PubChem CID22935639
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2,7-ditert-butyl-9-methylidenefluorene
SMILESC=C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C22H26/c1-14-19-12-15(21(2,3)4)8-10-17(19)18-11-9-16(13-20(14)18)22(5,6)7/h8-13H,1H2,2-7H3
InChIKeyFJIJSIPRWMEVGS-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.32
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-9-methylidenefluorene?
The IUPAC name of 2,7-ditert-butyl-9-methylidenefluorene (CID 22935639) is 2,7-ditert-butyl-9-methylidenefluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-methylidenefluorene?
The canonical SMILES for 2,7-ditert-butyl-9-methylidenefluorene is C=C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2,7-ditert-butyl-9-methylidenefluorene?
The InChIKey is FJIJSIPRWMEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-14-19-12-15(21(2,3)4)8-10-17(19)18-11-9-16(13-20(14)18)22(5,6)7/h8-13H,1H2,2-7H3.
What are the key properties of 2,7-ditert-butyl-9-methylidenefluorene?
2,7-ditert-butyl-9-methylidenefluorene has a molecular weight of 290.45 g/mol, XLogP of 6.32, 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-9-methylidenefluorene is sourced from PubChem (CID 22935639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).