(3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene

C18H16 — CID 5376740

IUPAC(3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
SMILESc1ccc2c(c1)CC/C2=C1/CCc2ccccc21
InChIInChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2/b18-17+
InChIKeyHLSBTOHZBUYMFU-ISLYRVAYSA-N
MW232.33 g/mol
LogP4.49
Rot. Bonds

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

(3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene (PubChem CID 5376740) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene.

Molecular Properties

Compound Name(3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
PubChem CID5376740
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
SMILESc1ccc2c(c1)CC/C2=C1/CCc2ccccc21
InChIInChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2/b18-17+
InChIKeyHLSBTOHZBUYMFU-ISLYRVAYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene?
The IUPAC name of (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene (CID 5376740) is (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene.
What is the SMILES notation for (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene?
The canonical SMILES for (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene is c1ccc2c(c1)CC/C2=C1/CCc2ccccc21.
What is the InChIKey of (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene?
The InChIKey is HLSBTOHZBUYMFU-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2/b18-17+.
What are the key properties of (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene?
(3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene has a molecular weight of 232.33 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,3-dihydroinden-1-ylidene)-1,2-dihydroindene is sourced from PubChem (CID 5376740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).