9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene

C27H24 — CID 15899658

IUPAC9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
SMILESC=CCC1=CC(CCC2c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C27H24/c1-2-9-19-18-20(22-11-4-3-10-21(19)22)16-17-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27/h2-8,10-15,18,20,27H,1,9,16-17H2
InChIKeyDBCNTBSDBPAYFC-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.34
Rot. Bonds5

About 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene

9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene (PubChem CID 15899658) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
PubChem CID15899658
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
SMILESC=CCC1=CC(CCC2c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C27H24/c1-2-9-19-18-20(22-11-4-3-10-21(19)22)16-17-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27/h2-8,10-15,18,20,27H,1,9,16-17H2
InChIKeyDBCNTBSDBPAYFC-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene?
The IUPAC name of 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene (CID 15899658) is 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene?
The canonical SMILES for 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene is C=CCC1=CC(CCC2c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene?
The InChIKey is DBCNTBSDBPAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-2-9-19-18-20(22-11-4-3-10-21(19)22)16-17-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27/h2-8,10-15,18,20,27H,1,9,16-17H2.
What are the key properties of 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene?
9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene has a molecular weight of 348.49 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 15899658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).