2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene

C21H20 — CID 21254346

IUPAC2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
SMILESCCCc1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H20/c1-2-7-19-18(15-8-3-4-9-15)12-13-20-17-11-6-5-10-16(17)14-21(19)20/h3-6,8,10-13H,2,7,9,14H2,1H3
InChIKeyVBYRTKKZPSFSQE-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.55
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene

2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene (PubChem CID 21254346) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
PubChem CID21254346
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
SMILESCCCc1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H20/c1-2-7-19-18(15-8-3-4-9-15)12-13-20-17-11-6-5-10-16(17)14-21(19)20/h3-6,8,10-13H,2,7,9,14H2,1H3
InChIKeyVBYRTKKZPSFSQE-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium;dihydrochloride
CID 173337763
1,2-diethyl-9H-fluorene
CID 23440471
1,2-dihexyl-9H-fluorene
CID 22141601
2-tert-butyl-1-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935980
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;dichlorozirconium
CID 140968929
1-butyl-2-decyl-9H-fluorene
CID 151429799
1-hexyl-9H-fluoren-2-amine
CID 57359668
carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173014129
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
1,2-diethoxy-3,4-dipropyl-9H-fluorene
CID 150425697
2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride
CID 87531949

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene (CID 21254346) is 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene is CCCc1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
The InChIKey is VBYRTKKZPSFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-2-7-19-18(15-8-3-4-9-15)12-13-20-17-11-6-5-10-16(17)14-21(19)20/h3-6,8,10-13H,2,7,9,14H2,1H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene has a molecular weight of 272.39 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene is sourced from PubChem (CID 21254346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).