5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene

C17H13I — CID 170237470

IUPAC5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene
SMILESIc1cc2cc3c(cc2c2ccccc12)CCC3
InChIInChI=1S/C17H13I/c18-17-10-13-8-11-4-3-5-12(11)9-16(13)14-6-1-2-7-15(14)17/h1-2,6-10H,3-5H2
InChIKeyAGNWYZNVEIHBPI-UHFFFAOYSA-N
MW344.19 g/mol
LogP5.09
Rot. Bonds

About 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene

5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene (PubChem CID 170237470) has the molecular formula C17H13I and a molecular weight of 344.19 g/mol. Its IUPAC name is 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene.

Molecular Properties

Compound Name5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene
PubChem CID170237470
Molecular FormulaC17H13I
Molecular Weight344.19 g/mol
Exact Mass344.01
IUPAC Name5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene
SMILESIc1cc2cc3c(cc2c2ccccc12)CCC3
InChIInChI=1S/C17H13I/c18-17-10-13-8-11-4-3-5-12(11)9-16(13)14-6-1-2-7-15(14)17/h1-2,6-10H,3-5H2
InChIKeyAGNWYZNVEIHBPI-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.19
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene?
The IUPAC name of 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene (CID 170237470) is 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene.
What is the SMILES notation for 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene?
The canonical SMILES for 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene is Ic1cc2cc3c(cc2c2ccccc12)CCC3.
What is the InChIKey of 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene?
The InChIKey is AGNWYZNVEIHBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13I/c18-17-10-13-8-11-4-3-5-12(11)9-16(13)14-6-1-2-7-15(14)17/h1-2,6-10H,3-5H2.
What are the key properties of 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene?
5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene has a molecular weight of 344.19 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-9,10-dihydro-8H-cyclopenta[b]phenanthrene is sourced from PubChem (CID 170237470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).