3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene

C28H34 — CID 158950739

IUPAC3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene
SMILESCC1=CC(c2cc3c(cc2C(C)(C)C)-c2cc(C(C)(C)C)ccc2C3)C(C)=C1
InChIInChI=1S/C28H34/c1-17-11-18(2)22(12-17)25-14-20-13-19-9-10-21(27(3,4)5)15-23(19)24(20)16-26(25)28(6,7)8/h9-12,14-16,22H,13H2,1-8H3
InChIKeyIUMQLUOTIXSCNF-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.84
Rot. Bonds1

About 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene

3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene (PubChem CID 158950739) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene.

Molecular Properties

Compound Name3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene
PubChem CID158950739
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene
SMILESCC1=CC(c2cc3c(cc2C(C)(C)C)-c2cc(C(C)(C)C)ccc2C3)C(C)=C1
InChIInChI=1S/C28H34/c1-17-11-18(2)22(12-17)25-14-20-13-19-9-10-21(27(3,4)5)15-23(19)24(20)16-26(25)28(6,7)8/h9-12,14-16,22H,13H2,1-8H3
InChIKeyIUMQLUOTIXSCNF-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-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

Related Compounds

3,6-ditert-butyl-2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-9H-fluorene
CID 158139554
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
1-bromo-3,6-ditert-butyl-9H-fluorene
CID 152720081
3-tert-butyl-1-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-6-(2-methyl-5-phenylpent-3-en-2-yl)-9H-fluorene
CID 172856596
3,6-ditert-butyl-1-(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)-9H-fluorene
CID 172998747
3,6-ditert-butyl-2,7-bis[4-(trifluoromethyl)phenyl]-9H-fluorene;dichlorozirconium
CID 174719542
3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 172713577
5-tert-butyl-2-methyl-1H-indene
CID 18314754
6,12,20,26-tetratert-butyl-9,23-dithiaheptacyclo[23.3.1.13,7.111,15.117,21.04,28.014,18]dotriaconta-1(29),3(32),4,6,11,13,15(31),17(30),18,20,25,27-dodecaene
CID 12066705
3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
CID 67048776
3,6-ditert-butyl-2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium
CID 173230952
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene?
The IUPAC name of 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene (CID 158950739) is 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene.
What is the SMILES notation for 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene?
The canonical SMILES for 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene is CC1=CC(c2cc3c(cc2C(C)(C)C)-c2cc(C(C)(C)C)ccc2C3)C(C)=C1.
What is the InChIKey of 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene?
The InChIKey is IUMQLUOTIXSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-17-11-18(2)22(12-17)25-14-20-13-19-9-10-21(27(3,4)5)15-23(19)24(20)16-26(25)28(6,7)8/h9-12,14-16,22H,13H2,1-8H3.
What are the key properties of 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene?
3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene has a molecular weight of 370.58 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-9H-fluorene is sourced from PubChem (CID 158950739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).