9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene

C29H28 — CID 54378698

IUPAC9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
SMILESC=CC(CC)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C29H28/c1-3-20(4-2)29-22(19-21-11-5-6-12-23(21)29)17-18-28-26-15-9-7-13-24(26)25-14-8-10-16-27(25)28/h3,5-16,19-20,28-29H,1,4,17-18H2,2H3
InChIKeyUYJVFUGPDAKULM-UHFFFAOYSA-N
MW376.54 g/mol
LogP7.97
Rot. Bonds6

About 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene

9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene (PubChem CID 54378698) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
PubChem CID54378698
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
SMILESC=CC(CC)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C29H28/c1-3-20(4-2)29-22(19-21-11-5-6-12-23(21)29)17-18-28-26-15-9-7-13-24(26)25-14-8-10-16-27(25)28/h3,5-16,19-20,28-29H,1,4,17-18H2,2H3
InChIKeyUYJVFUGPDAKULM-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
The IUPAC name of 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene (CID 54378698) is 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
The canonical SMILES for 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene is C=CC(CC)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21.
What is the InChIKey of 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
The InChIKey is UYJVFUGPDAKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28/c1-3-20(4-2)29-22(19-21-11-5-6-12-23(21)29)17-18-28-26-15-9-7-13-24(26)25-14-8-10-16-27(25)28/h3,5-16,19-20,28-29H,1,4,17-18H2,2H3.
What are the key properties of 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene has a molecular weight of 376.54 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 54378698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).