2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene

C29H34 — CID 172756079

IUPAC2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene
SMILESCC(C)=CC(C)(C)c1ccc2c(c1)Cc1c-2ccc(C(C)(C)C)c1C1C=CC=C1
InChIInChI=1S/C29H34/c1-19(2)18-29(6,7)22-12-13-23-21(16-22)17-25-24(23)14-15-26(28(3,4)5)27(25)20-10-8-9-11-20/h8-16,18,20H,17H2,1-7H3
InChIKeyLARQWUJIJVCEAD-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.01
Rot. Bonds3

About 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene

2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene (PubChem CID 172756079) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene.

Molecular Properties

Compound Name2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene
PubChem CID172756079
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene
SMILESCC(C)=CC(C)(C)c1ccc2c(c1)Cc1c-2ccc(C(C)(C)C)c1C1C=CC=C1
InChIInChI=1S/C29H34/c1-19(2)18-29(6,7)22-12-13-23-21(16-22)17-25-24(23)14-15-26(28(3,4)5)27(25)20-10-8-9-11-20/h8-16,18,20H,17H2,1-7H3
InChIKeyLARQWUJIJVCEAD-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene with MolForge

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Related Compounds

2-tert-butyl-1-[2-(2,3-dimethylphenyl)cyclopenta-2,4-dien-1-yl]-7-(2-methyl-4,4-diphenylbut-3-en-2-yl)-9H-fluorene
CID 157239867
2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
CID 140974176
CID 23078665
CID 23078665
3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene
CID 150122519
2,7-ditert-butyl-1-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 150160280
2,7-ditert-butyl-1-[cyclopenta-1,3-dien-1-yl-bis(4-methylphenyl)methyl]-9H-fluorene
CID 86606714
cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane
CID 139803084
2,7-ditert-butyl-1-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-2-enyl)-9H-fluorene;zirconium(2+);dichloride
CID 173043554
2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
CID 144503486
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
3,6-ditert-butyl-1-[cyclopenta-2,4-dien-1-yl-bis(4-methylphenyl)methyl]-2,7-dimethyl-9H-fluorene
CID 141456795

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene?
The IUPAC name of 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene (CID 172756079) is 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene.
What is the SMILES notation for 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene?
The canonical SMILES for 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene is CC(C)=CC(C)(C)c1ccc2c(c1)Cc1c-2ccc(C(C)(C)C)c1C1C=CC=C1.
What is the InChIKey of 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene?
The InChIKey is LARQWUJIJVCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-19(2)18-29(6,7)22-12-13-23-21(16-22)17-25-24(23)14-15-26(28(3,4)5)27(25)20-10-8-9-11-20/h8-16,18,20H,17H2,1-7H3.
What are the key properties of 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene?
2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene has a molecular weight of 382.59 g/mol, XLogP of 8.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene is sourced from PubChem (CID 172756079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).