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

C22H22 — CID 139709795

IUPAC1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC1=CC(C(C)(C)c2cccc3c2Cc2ccccc2-3)C=C1
InChIInChI=1S/C22H22/c1-15-11-12-17(13-15)22(2,3)21-10-6-9-19-18-8-5-4-7-16(18)14-20(19)21/h4-13,17H,14H2,1-3H3
InChIKeyAZFPFOQHLMKPHU-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.67
Rot. Bonds2

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

1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene (PubChem CID 139709795) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
PubChem CID139709795
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC1=CC(C(C)(C)c2cccc3c2Cc2ccccc2-3)C=C1
InChIInChI=1S/C22H22/c1-15-11-12-17(13-15)22(2,3)21-10-6-9-19-18-8-5-4-7-16(18)14-20(19)21/h4-13,17H,14H2,1-3H3
InChIKeyAZFPFOQHLMKPHU-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 131725120
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
1,3-ditert-butyl-9H-fluorene
CID 175163483
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 18477278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene (CID 139709795) is 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene is CC1=CC(C(C)(C)c2cccc3c2Cc2ccccc2-3)C=C1.
What is the InChIKey of 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The InChIKey is AZFPFOQHLMKPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-15-11-12-17(13-15)22(2,3)21-10-6-9-19-18-8-5-4-7-16(18)14-20(19)21/h4-13,17H,14H2,1-3H3.
What are the key properties of 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene has a molecular weight of 286.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 139709795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).