1,3,6-trimethyl-9H-fluorene

C16H16 — CID 59560956

IUPAC1,3,6-trimethyl-9H-fluorene
SMILESCc1ccc2c(c1)-c1cc(C)cc(C)c1C2
InChIInChI=1S/C16H16/c1-10-4-5-13-9-14-12(3)6-11(2)8-16(14)15(13)7-10/h4-8H,9H2,1-3H3
InChIKeyRGJLBPNPWPHHBQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.18
Rot. Bonds

About 1,3,6-trimethyl-9H-fluorene

1,3,6-trimethyl-9H-fluorene (PubChem CID 59560956) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,3,6-trimethyl-9H-fluorene.

Molecular Properties

Compound Name1,3,6-trimethyl-9H-fluorene
PubChem CID59560956
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1,3,6-trimethyl-9H-fluorene
SMILESCc1ccc2c(c1)-c1cc(C)cc(C)c1C2
InChIInChI=1S/C16H16/c1-10-4-5-13-9-14-12(3)6-11(2)8-16(14)15(13)7-10/h4-8H,9H2,1-3H3
InChIKeyRGJLBPNPWPHHBQ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,6-trimethyl-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-9H-fluorene?
The IUPAC name of 1,3,6-trimethyl-9H-fluorene (CID 59560956) is 1,3,6-trimethyl-9H-fluorene.
What is the SMILES notation for 1,3,6-trimethyl-9H-fluorene?
The canonical SMILES for 1,3,6-trimethyl-9H-fluorene is Cc1ccc2c(c1)-c1cc(C)cc(C)c1C2.
What is the InChIKey of 1,3,6-trimethyl-9H-fluorene?
The InChIKey is RGJLBPNPWPHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-10-4-5-13-9-14-12(3)6-11(2)8-16(14)15(13)7-10/h4-8H,9H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-9H-fluorene?
1,3,6-trimethyl-9H-fluorene has a molecular weight of 208.30 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-9H-fluorene is sourced from PubChem (CID 59560956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).