2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene

C26H30 — CID 91015575

IUPAC2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene
SMILESCC1C=C(C(C)(C)C)C=C1C(C)Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H30/c1-17(25-16-22(13-18(25)2)26(3,4)5)12-19-10-11-24-21(14-19)15-20-8-6-7-9-23(20)24/h6-11,13-14,16-18H,12,15H2,1-5H3
InChIKeyCKCLNTQPHIDOOL-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.99
Rot. Bonds3

About 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene

2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene (PubChem CID 91015575) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene.

Molecular Properties

Compound Name2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene
PubChem CID91015575
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene
SMILESCC1C=C(C(C)(C)C)C=C1C(C)Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H30/c1-17(25-16-22(13-18(25)2)26(3,4)5)12-19-10-11-24-21(14-19)15-20-8-6-7-9-23(20)24/h6-11,13-14,16-18H,12,15H2,1-5H3
InChIKeyCKCLNTQPHIDOOL-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene with MolForge

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Related Compounds

2-(fluoromethyl)-9H-fluorene
CID 126607350
9H-fluoren-2-ylmethyl(trimethyl)silane
CID 132540419
N-(9H-fluoren-2-ylmethyl)methanimine
CID 142569253
2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene
CID 163760487
(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one
CID 58904352
CID 173061024
CID 173061024
2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene
CID 163626490
3-(9H-fluoren-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15580563
ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
CID 70243578
2-(1-bromopropan-2-yl)-9H-fluorene
CID 66469849
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
1-(9H-fluoren-3-yl)-N,N-dimethylmethanamine
CID 147952103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene?
The IUPAC name of 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene (CID 91015575) is 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene.
What is the SMILES notation for 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene?
The canonical SMILES for 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene is CC1C=C(C(C)(C)C)C=C1C(C)Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene?
The InChIKey is CKCLNTQPHIDOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-17(25-16-22(13-18(25)2)26(3,4)5)12-19-10-11-24-21(14-19)15-20-8-6-7-9-23(20)24/h6-11,13-14,16-18H,12,15H2,1-5H3.
What are the key properties of 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene?
2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene has a molecular weight of 342.53 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene is sourced from PubChem (CID 91015575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).