2-iodo-10b,10c-dihydropyrene

C16H11I — CID 138626052

IUPAC2-iodo-10b,10c-dihydropyrene
SMILESIC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43
InChIInChI=1S/C16H11I/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9,15-16H
InChIKeyWUQROGQPZNCTMY-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.41
Rot. Bonds

About 2-iodo-10b,10c-dihydropyrene

2-iodo-10b,10c-dihydropyrene (PubChem CID 138626052) has the molecular formula C16H11I and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-iodo-10b,10c-dihydropyrene.

Molecular Properties

Compound Name2-iodo-10b,10c-dihydropyrene
PubChem CID138626052
Molecular FormulaC16H11I
Molecular Weight330.17 g/mol
Exact Mass329.99
IUPAC Name2-iodo-10b,10c-dihydropyrene
SMILESIC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43
InChIInChI=1S/C16H11I/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9,15-16H
InChIKeyWUQROGQPZNCTMY-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trans-10b,10c-Dihydropyrene
CID 2751910
(4aS,4bS)-4a,4b-dihydrophenanthrene
CID 57864567
4a,4b-Dihydrophenanthrene
CID 59766474
4a,4b-Dihydrobenzphenanthrene
CID 123475523
3a,8a-Dihydropyrene
CID 139244996
1-Fluoro-2-iodo-10b,10c-dihydropyrene
CID 170014548
1-Fluoro-6-iodo-10b,10c-dihydropyrene
CID 170014570
2-Fluoro-7-iodo-10b,10c-dihydropyrene
CID 170014580
4a,4b,8a,10a-Tetrahydrophenanthrene
CID 11116688
Tetracyclo[12.4.0.01,6.06,11]octadeca-2,4,7,9,11,13,15,17-octaene
CID 20056486
(4aR,4bR)-4a,4b-Dihydrophenanthrene
CID 71350891
3,4-Dimethyl-3,3a,4,9b-tetrahydroperylene
CID 91430696

Frequently Asked Questions

What is the IUPAC name of 2-iodo-10b,10c-dihydropyrene?
The IUPAC name of 2-iodo-10b,10c-dihydropyrene (CID 138626052) is 2-iodo-10b,10c-dihydropyrene.
What is the SMILES notation for 2-iodo-10b,10c-dihydropyrene?
The canonical SMILES for 2-iodo-10b,10c-dihydropyrene is IC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.
What is the InChIKey of 2-iodo-10b,10c-dihydropyrene?
The InChIKey is WUQROGQPZNCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11I/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9,15-16H.
What are the key properties of 2-iodo-10b,10c-dihydropyrene?
2-iodo-10b,10c-dihydropyrene has a molecular weight of 330.17 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-10b,10c-dihydropyrene is sourced from PubChem (CID 138626052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).