7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene

C21H18 — CID 143463530

IUPAC7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene
SMILESC=C(C)c1cccc2c1c(=C)c1c3c(cccc32)=CCC1
InChIInChI=1S/C21H18/c1-13(2)16-9-6-12-18-19-11-5-8-15-7-4-10-17(21(15)19)14(3)20(16)18/h5-9,11-12H,1,3-4,10H2,2H3
InChIKeyFPCMPWGUIMKDFG-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.16
Rot. Bonds1

About 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene

7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene (PubChem CID 143463530) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene.

Molecular Properties

Compound Name7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene
PubChem CID143463530
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene
SMILESC=C(C)c1cccc2c1c(=C)c1c3c(cccc32)=CCC1
InChIInChI=1S/C21H18/c1-13(2)16-9-6-12-18-19-11-5-8-15-7-4-10-17(21(15)19)14(3)20(16)18/h5-9,11-12H,1,3-4,10H2,2H3
InChIKeyFPCMPWGUIMKDFG-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene 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 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene?
The IUPAC name of 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene (CID 143463530) is 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene.
What is the SMILES notation for 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene?
The canonical SMILES for 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene is C=C(C)c1cccc2c1c(=C)c1c3c(cccc32)=CCC1.
What is the InChIKey of 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene?
The InChIKey is FPCMPWGUIMKDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-13(2)16-9-6-12-18-19-11-5-8-15-7-4-10-17(21(15)19)14(3)20(16)18/h5-9,11-12H,1,3-4,10H2,2H3.
What are the key properties of 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene?
7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene has a molecular weight of 270.38 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-8-prop-1-en-2-yl-5,6-dihydrobenzo[a]phenalene is sourced from PubChem (CID 143463530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).