1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene

C25H28 — CID 87110280

IUPAC1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
SMILESCCCC1(CC)C=CC2=c3ccc(CC)cc3=CC2=C1C1=CC=CC1
InChIInChI=1S/C25H28/c1-4-14-25(6-3)15-13-22-21-12-11-18(5-2)16-20(21)17-23(22)24(25)19-9-7-8-10-19/h7-9,11-13,15-17H,4-6,10,14H2,1-3H3
InChIKeyUUSJWHHPBYQQEL-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.14
Rot. Bonds5

About 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene

1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene (PubChem CID 87110280) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
PubChem CID87110280
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
SMILESCCCC1(CC)C=CC2=c3ccc(CC)cc3=CC2=C1C1=CC=CC1
InChIInChI=1S/C25H28/c1-4-14-25(6-3)15-13-22-21-12-11-18(5-2)16-20(21)17-23(22)24(25)19-9-7-8-10-19/h7-9,11-13,15-17H,4-6,10,14H2,1-3H3
InChIKeyUUSJWHHPBYQQEL-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene
CID 87110051
(1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-5-trimethylsilylfluoren-2-yl)-trimethylsilane
CID 87109866
benzhydrylidenezirconium(2+);1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-methyl-9H-fluoren-9-ide;dichloride
CID 87109620
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene
CID 87109748
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene
CID 87109725
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
CID 87109925
cyclohexylidenezirconium;2,7-ditert-butyl-3-cyclopenta-1,3-dien-1-yl-2-ethyl-1H-fluoren-1-ide
CID 173346376
2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene
CID 19033036
2-cyclopenta-1,3-dien-1-ylaniline;1-ethyl-4-methylbenzene
CID 144960325
2-cyclopenta-1,3-dien-1-yl-9-propyl-9H-fluorene
CID 90787993
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene (CID 87110280) is 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene is CCCC1(CC)C=CC2=c3ccc(CC)cc3=CC2=C1C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene?
The InChIKey is UUSJWHHPBYQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-4-14-25(6-3)15-13-22-21-12-11-18(5-2)16-20(21)17-23(22)24(25)19-9-7-8-10-19/h7-9,11-13,15-17H,4-6,10,14H2,1-3H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene?
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene has a molecular weight of 328.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene is sourced from PubChem (CID 87110280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).