1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene

C24H24 — CID 22373058

IUPAC1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene
SMILESCC/C=C/C(C)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C24H24/c1-3-4-16-24(2,19-11-6-7-12-19)23-15-9-14-21-20-13-8-5-10-18(20)17-22(21)23/h4-11,13-16H,3,12,17H2,1-2H3/b16-4+
InChIKeyOAJQTGAXMOTKJW-AYSLTRBKSA-N
MW312.46 g/mol
LogP6.37
Rot. Bonds4

About 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene

1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene (PubChem CID 22373058) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene
PubChem CID22373058
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene
SMILESCC/C=C/C(C)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C24H24/c1-3-4-16-24(2,19-11-6-7-12-19)23-15-9-14-21-20-13-8-5-10-18(20)17-22(21)23/h4-11,13-16H,3,12,17H2,1-2H3/b16-4+
InChIKeyOAJQTGAXMOTKJW-AYSLTRBKSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-3-(9H-fluoren-1-yl)pentan-1-ol
CID 18622804
carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium
CID 174706439
1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride
CID 173223314
2,7-ditert-butyl-1-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-2-enyl)-9H-fluorene;zirconium(2+);dichloride
CID 173043554
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium;dihydrochloride
CID 173337763
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
2-tert-butyl-1-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935980
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;dichlorozirconium
CID 140968929
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 18477278

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene?
The IUPAC name of 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene (CID 22373058) is 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene?
The canonical SMILES for 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene is CC/C=C/C(C)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene?
The InChIKey is OAJQTGAXMOTKJW-AYSLTRBKSA-N. The full InChI is InChI=1S/C24H24/c1-3-4-16-24(2,19-11-6-7-12-19)23-15-9-14-21-20-13-8-5-10-18(20)17-22(21)23/h4-11,13-16H,3,12,17H2,1-2H3/b16-4+.
What are the key properties of 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene?
1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene has a molecular weight of 312.46 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene is sourced from PubChem (CID 22373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).