2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene

C28H34 — CID 140974176

IUPAC2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
SMILESCCc1cc2c(c(C3C=CC=C3)c1C(C)(C)C)Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C28H34/c1-8-18-16-23-22-14-13-21(27(2,3)4)15-20(22)17-24(23)25(19-11-9-10-12-19)26(18)28(5,6)7/h9-16,19H,8,17H2,1-7H3
InChIKeyPTWORGZHEZUGMO-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.62
Rot. Bonds2

About 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene

2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene (PubChem CID 140974176) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
PubChem CID140974176
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
SMILESCCc1cc2c(c(C3C=CC=C3)c1C(C)(C)C)Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C28H34/c1-8-18-16-23-22-14-13-21(27(2,3)4)15-20(22)17-24(23)25(19-11-9-10-12-19)26(18)28(5,6)7/h9-16,19H,8,17H2,1-7H3
InChIKeyPTWORGZHEZUGMO-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene with MolForge

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Related Compounds

2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene
CID 172756079
CID 23078665
CID 23078665
(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane
CID 87110240
cyclopenta-1,3-diene;2,7-ditert-butyl-4-(cyclopenta-2,4-dien-1-ylmethyl)-1,9-dihydrofluoren-1-ide;zirconium(4+);dichloride
CID 162028955
2,7-ditert-butyl-1-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 150160280
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
dilithium bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide)
CID 159501718
2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
6,13-ditert-butyl-4-(chloromethyl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 14692240
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene (CID 140974176) is 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene is CCc1cc2c(c(C3C=CC=C3)c1C(C)(C)C)Cc1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene?
The InChIKey is PTWORGZHEZUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-8-18-16-23-22-14-13-21(27(2,3)4)15-20(22)17-24(23)25(19-11-9-10-12-19)26(18)28(5,6)7/h9-16,19H,8,17H2,1-7H3.
What are the key properties of 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene?
2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene has a molecular weight of 370.58 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene is sourced from PubChem (CID 140974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).