1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene

C22H26 — CID 145257374

IUPAC1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene
SMILESCC1(C)c2cc3c(cc2C(C)(C)C1(C)C)-c1ccccc1C3
InChIInChI=1S/C22H26/c1-20(2)18-12-15-11-14-9-7-8-10-16(14)17(15)13-19(18)21(3,4)22(20,5)6/h7-10,12-13H,11H2,1-6H3
InChIKeyYRLAWHDOFDXXNN-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.85
Rot. Bonds

About 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene

1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene (PubChem CID 145257374) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene
PubChem CID145257374
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene
SMILESCC1(C)c2cc3c(cc2C(C)(C)C1(C)C)-c1ccccc1C3
InChIInChI=1S/C22H26/c1-20(2)18-12-15-11-14-9-7-8-10-16(14)17(15)13-19(18)21(3,4)22(20,5)6/h7-10,12-13H,11H2,1-6H3
InChIKeyYRLAWHDOFDXXNN-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]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 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene?
The IUPAC name of 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene (CID 145257374) is 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene.
What is the SMILES notation for 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene?
The canonical SMILES for 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene is CC1(C)c2cc3c(cc2C(C)(C)C1(C)C)-c1ccccc1C3.
What is the InChIKey of 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene?
The InChIKey is YRLAWHDOFDXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-20(2)18-12-15-11-14-9-7-8-10-16(14)17(15)13-19(18)21(3,4)22(20,5)6/h7-10,12-13H,11H2,1-6H3.
What are the key properties of 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene?
1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene has a molecular weight of 290.45 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 1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene is sourced from PubChem (CID 145257374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).