1-benzylidene-2H-s-indacene

C19H14 — CID 175829334

IUPAC1-benzylidene-2H-s-indacene
SMILESC1=Cc2cc3c(cc2=C1)C(=Cc1ccccc1)CC=3
InChIInChI=1S/C19H14/c1-2-5-14(6-3-1)11-17-9-10-18-12-15-7-4-8-16(15)13-19(17)18/h1-8,10-13H,9H2
InChIKeyDCJZOFHMIRMDIC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.22
Rot. Bonds1

About 1-benzylidene-2H-s-indacene

1-benzylidene-2H-s-indacene (PubChem CID 175829334) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-benzylidene-2H-s-indacene.

Molecular Properties

Compound Name1-benzylidene-2H-s-indacene
PubChem CID175829334
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name1-benzylidene-2H-s-indacene
SMILESC1=Cc2cc3c(cc2=C1)C(=Cc1ccccc1)CC=3
InChIInChI=1S/C19H14/c1-2-5-14(6-3-1)11-17-9-10-18-12-15-7-4-8-16(15)13-19(17)18/h1-8,10-13H,9H2
InChIKeyDCJZOFHMIRMDIC-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.22
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 1-benzylidene-2H-s-indacene?
The IUPAC name of 1-benzylidene-2H-s-indacene (CID 175829334) is 1-benzylidene-2H-s-indacene.
What is the SMILES notation for 1-benzylidene-2H-s-indacene?
The canonical SMILES for 1-benzylidene-2H-s-indacene is C1=Cc2cc3c(cc2=C1)C(=Cc1ccccc1)CC=3.
What is the InChIKey of 1-benzylidene-2H-s-indacene?
The InChIKey is DCJZOFHMIRMDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-2-5-14(6-3-1)11-17-9-10-18-12-15-7-4-8-16(15)13-19(17)18/h1-8,10-13H,9H2.
What are the key properties of 1-benzylidene-2H-s-indacene?
1-benzylidene-2H-s-indacene has a molecular weight of 242.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylidene-2H-s-indacene is sourced from PubChem (CID 175829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).