(3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene

C22H24 — CID 12602572

IUPAC(3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene
SMILESCc1ccc(C)c2c1CC/C2=C1/CCc2c(C)ccc(C)c21
InChIInChI=1S/C22H24/c1-13-5-7-15(3)21-17(13)9-11-19(21)20-12-10-18-14(2)6-8-16(4)22(18)20/h5-8H,9-12H2,1-4H3/b20-19+
InChIKeyZTMONYYBCCCDET-FMQUCBEESA-N
MW288.43 g/mol
LogP5.72
Rot. Bonds

About (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene

(3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene (PubChem CID 12602572) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name(3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene
PubChem CID12602572
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name(3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene
SMILESCc1ccc(C)c2c1CC/C2=C1/CCc2c(C)ccc(C)c21
InChIInChI=1S/C22H24/c1-13-5-7-15(3)21-17(13)9-11-19(21)20-12-10-18-14(2)6-8-16(4)22(18)20/h5-8H,9-12H2,1-4H3/b20-19+
InChIKeyZTMONYYBCCCDET-FMQUCBEESA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene 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 (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
The IUPAC name of (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene (CID 12602572) is (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene.
What is the SMILES notation for (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
The canonical SMILES for (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene is Cc1ccc(C)c2c1CC/C2=C1/CCc2c(C)ccc(C)c21.
What is the InChIKey of (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
The InChIKey is ZTMONYYBCCCDET-FMQUCBEESA-N. The full InChI is InChI=1S/C22H24/c1-13-5-7-15(3)21-17(13)9-11-19(21)20-12-10-18-14(2)6-8-16(4)22(18)20/h5-8H,9-12H2,1-4H3/b20-19+.
What are the key properties of (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
(3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene has a molecular weight of 288.43 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 12602572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).