9-(4-iodophenyl)phenanthrene

C20H13I — CID 89083753

IUPAC9-(4-iodophenyl)phenanthrene
SMILESIc1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H13I/c21-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-13H
InChIKeyFLIRQJFCTWEXFI-UHFFFAOYSA-N
MW380.23 g/mol
LogP6.26
Rot. Bonds1

About 9-(4-iodophenyl)phenanthrene

9-(4-iodophenyl)phenanthrene (PubChem CID 89083753) has the molecular formula C20H13I and a molecular weight of 380.23 g/mol. Its IUPAC name is 9-(4-iodophenyl)phenanthrene.

Molecular Properties

Compound Name9-(4-iodophenyl)phenanthrene
PubChem CID89083753
Molecular FormulaC20H13I
Molecular Weight380.23 g/mol
Exact Mass380.01
IUPAC Name9-(4-iodophenyl)phenanthrene
SMILESIc1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H13I/c21-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-13H
InChIKeyFLIRQJFCTWEXFI-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.23
LogP ≤ 56.26
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 9-(4-iodophenyl)phenanthrene?
The IUPAC name of 9-(4-iodophenyl)phenanthrene (CID 89083753) is 9-(4-iodophenyl)phenanthrene.
What is the SMILES notation for 9-(4-iodophenyl)phenanthrene?
The canonical SMILES for 9-(4-iodophenyl)phenanthrene is Ic1ccc(-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-(4-iodophenyl)phenanthrene?
The InChIKey is FLIRQJFCTWEXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13I/c21-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-13H.
What are the key properties of 9-(4-iodophenyl)phenanthrene?
9-(4-iodophenyl)phenanthrene has a molecular weight of 380.23 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-iodophenyl)phenanthrene is sourced from PubChem (CID 89083753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).