6-iodo-1,10c-dihydropyrene

C16H11I — CID 169432191

IUPAC6-iodo-1,10c-dihydropyrene
SMILESIC1=CC=C2C=CC3=C4C(=CC=C1C24)C=CC3
InChIInChI=1S/C16H11I/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1,3-9,16H,2H2
InChIKeyAUXQAUBJUFTVMX-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.55
Rot. Bonds

About 6-iodo-1,10c-dihydropyrene

6-iodo-1,10c-dihydropyrene (PubChem CID 169432191) has the molecular formula C16H11I and a molecular weight of 330.17 g/mol. Its IUPAC name is 6-iodo-1,10c-dihydropyrene.

Molecular Properties

Compound Name6-iodo-1,10c-dihydropyrene
PubChem CID169432191
Molecular FormulaC16H11I
Molecular Weight330.17 g/mol
Exact Mass329.99
IUPAC Name6-iodo-1,10c-dihydropyrene
SMILESIC1=CC=C2C=CC3=C4C(=CC=C1C24)C=CC3
InChIInChI=1S/C16H11I/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1,3-9,16H,2H2
InChIKeyAUXQAUBJUFTVMX-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-1,10c-dihydropyrene?
The IUPAC name of 6-iodo-1,10c-dihydropyrene (CID 169432191) is 6-iodo-1,10c-dihydropyrene.
What is the SMILES notation for 6-iodo-1,10c-dihydropyrene?
The canonical SMILES for 6-iodo-1,10c-dihydropyrene is IC1=CC=C2C=CC3=C4C(=CC=C1C24)C=CC3.
What is the InChIKey of 6-iodo-1,10c-dihydropyrene?
The InChIKey is AUXQAUBJUFTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11I/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1,3-9,16H,2H2.
What are the key properties of 6-iodo-1,10c-dihydropyrene?
6-iodo-1,10c-dihydropyrene has a molecular weight of 330.17 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1,10c-dihydropyrene is sourced from PubChem (CID 169432191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).