4,5,9-trimethyl-9H-fluorene

C16H16 — CID 20673052

IUPAC4,5,9-trimethyl-9H-fluorene
SMILESCc1cccc2c1-c1c(C)cccc1C2C
InChIInChI=1S/C16H16/c1-10-6-4-8-13-12(3)14-9-5-7-11(2)16(14)15(10)13/h4-9,12H,1-3H3
InChIKeyVXJPFOFLJFMQGL-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.44
Rot. Bonds

About 4,5,9-trimethyl-9H-fluorene

4,5,9-trimethyl-9H-fluorene (PubChem CID 20673052) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,5,9-trimethyl-9H-fluorene.

Molecular Properties

Compound Name4,5,9-trimethyl-9H-fluorene
PubChem CID20673052
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name4,5,9-trimethyl-9H-fluorene
SMILESCc1cccc2c1-c1c(C)cccc1C2C
InChIInChI=1S/C16H16/c1-10-6-4-8-13-12(3)14-9-5-7-11(2)16(14)15(10)13/h4-9,12H,1-3H3
InChIKeyVXJPFOFLJFMQGL-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5,9-trimethyl-9H-fluorene?
The IUPAC name of 4,5,9-trimethyl-9H-fluorene (CID 20673052) is 4,5,9-trimethyl-9H-fluorene.
What is the SMILES notation for 4,5,9-trimethyl-9H-fluorene?
The canonical SMILES for 4,5,9-trimethyl-9H-fluorene is Cc1cccc2c1-c1c(C)cccc1C2C.
What is the InChIKey of 4,5,9-trimethyl-9H-fluorene?
The InChIKey is VXJPFOFLJFMQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-10-6-4-8-13-12(3)14-9-5-7-11(2)16(14)15(10)13/h4-9,12H,1-3H3.
What are the key properties of 4,5,9-trimethyl-9H-fluorene?
4,5,9-trimethyl-9H-fluorene has a molecular weight of 208.30 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9-trimethyl-9H-fluorene is sourced from PubChem (CID 20673052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).