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

C26H30 — CID 131725120

IUPAC1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC1=CC(C(C)(C)C)=CC1C(C)(C)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H30/c1-17-14-19(25(2,3)4)16-24(17)26(5,6)23-13-9-12-21-20-11-8-7-10-18(20)15-22(21)23/h7-14,16,24H,15H2,1-6H3
InChIKeyGDLGZHKSMUJRRX-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.08
Rot. Bonds2

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

1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene (PubChem CID 131725120) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
PubChem CID131725120
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC1=CC(C(C)(C)C)=CC1C(C)(C)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H30/c1-17-14-19(25(2,3)4)16-24(17)26(5,6)23-13-9-12-21-20-11-8-7-10-18(20)15-22(21)23/h7-14,16,24H,15H2,1-6H3
InChIKeyGDLGZHKSMUJRRX-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 139709795
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
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-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1,3-ditert-butyl-9H-fluorene
CID 175163483
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene
CID 158942053
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
1-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 18477278
Fluorenylsilane
CID 22104606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene (CID 131725120) is 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene is CC1=CC(C(C)(C)C)=CC1C(C)(C)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
The InChIKey is GDLGZHKSMUJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-17-14-19(25(2,3)4)16-24(17)26(5,6)23-13-9-12-21-20-11-8-7-10-18(20)15-22(21)23/h7-14,16,24H,15H2,1-6H3.
What are the key properties of 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene?
1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene has a molecular weight of 342.53 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 131725120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).