9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene

C25H28 — CID 100964973

IUPAC9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C)C1=CC(C(C)(C)C2c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C25H28/c1-24(2,3)17-14-15-18(16-17)25(4,5)23-21-12-8-6-10-19(21)20-11-7-9-13-22(20)23/h6-16,18,23H,1-5H3
InChIKeyCWRHPPYSOTVTFO-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.98
Rot. Bonds2

About 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene

9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene (PubChem CID 100964973) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
PubChem CID100964973
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C)C1=CC(C(C)(C)C2c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C25H28/c1-24(2,3)17-14-15-18(16-17)25(4,5)23-21-12-8-6-10-19(21)20-11-7-9-13-22(20)23/h6-16,18,23H,1-5H3
InChIKeyCWRHPPYSOTVTFO-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 141345894
CID 11112856
CID 11112856
9-(1-chloro-1-phenylethyl)-9H-fluorene
CID 18987529
2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 101016261
9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 140872855
9-(2-cyclopenta-2,4-dien-1-ylpent-4-en-2-yl)-9H-fluorene
CID 11385650
bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane
CID 102030256
(3-tert-butylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 15822183
9-[(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-bis(4-tert-butylphenyl)methyl]-9H-fluorene
CID 91496250
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
CID 161189718
CID 161189718

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene (CID 100964973) is 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene is CC(C)(C)C1=CC(C(C)(C)C2c3ccccc3-c3ccccc32)C=C1.
What is the InChIKey of 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The InChIKey is CWRHPPYSOTVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-24(2,3)17-14-15-18(16-17)25(4,5)23-21-12-8-6-10-19(21)20-11-7-9-13-22(20)23/h6-16,18,23H,1-5H3.
What are the key properties of 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene has a molecular weight of 328.50 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 100964973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).