9-benzylidene-2,7-diiodofluorene

C20H12I2 — CID 19892568

IUPAC9-benzylidene-2,7-diiodofluorene
SMILESIc1ccc2c(c1)C(=Cc1ccccc1)c1cc(I)ccc1-2
InChIInChI=1S/C20H12I2/c21-14-6-8-16-17-9-7-15(22)12-20(17)18(19(16)11-14)10-13-4-2-1-3-5-13/h1-12H
InChIKeySYCVVCIAGYJVFB-UHFFFAOYSA-N
MW506.12 g/mol
LogP6.47
Rot. Bonds1

About 9-benzylidene-2,7-diiodofluorene

9-benzylidene-2,7-diiodofluorene (PubChem CID 19892568) has the molecular formula C20H12I2 and a molecular weight of 506.12 g/mol. Its IUPAC name is 9-benzylidene-2,7-diiodofluorene.

Molecular Properties

Compound Name9-benzylidene-2,7-diiodofluorene
PubChem CID19892568
Molecular FormulaC20H12I2
Molecular Weight506.12 g/mol
Exact Mass505.90
IUPAC Name9-benzylidene-2,7-diiodofluorene
SMILESIc1ccc2c(c1)C(=Cc1ccccc1)c1cc(I)ccc1-2
InChIInChI=1S/C20H12I2/c21-14-6-8-16-17-9-7-15(22)12-20(17)18(19(16)11-14)10-13-4-2-1-3-5-13/h1-12H
InChIKeySYCVVCIAGYJVFB-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.12
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-benzylidene-2,7-diiodofluorene?
The IUPAC name of 9-benzylidene-2,7-diiodofluorene (CID 19892568) is 9-benzylidene-2,7-diiodofluorene.
What is the SMILES notation for 9-benzylidene-2,7-diiodofluorene?
The canonical SMILES for 9-benzylidene-2,7-diiodofluorene is Ic1ccc2c(c1)C(=Cc1ccccc1)c1cc(I)ccc1-2.
What is the InChIKey of 9-benzylidene-2,7-diiodofluorene?
The InChIKey is SYCVVCIAGYJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12I2/c21-14-6-8-16-17-9-7-15(22)12-20(17)18(19(16)11-14)10-13-4-2-1-3-5-13/h1-12H.
What are the key properties of 9-benzylidene-2,7-diiodofluorene?
9-benzylidene-2,7-diiodofluorene has a molecular weight of 506.12 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylidene-2,7-diiodofluorene is sourced from PubChem (CID 19892568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).