4-iodo-1H-phenalene

C13H9I — CID 156512606

IUPAC4-iodo-1H-phenalene
SMILESIc1ccc2cccc3c2c1C=CC3
InChIInChI=1S/C13H9I/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-4,6-8H,5H2
InChIKeyFRXWDAIZJDCOBG-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.01
Rot. Bonds

About 4-iodo-1H-phenalene

4-iodo-1H-phenalene (PubChem CID 156512606) has the molecular formula C13H9I and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-iodo-1H-phenalene.

Molecular Properties

Compound Name4-iodo-1H-phenalene
PubChem CID156512606
Molecular FormulaC13H9I
Molecular Weight292.12 g/mol
Exact Mass291.97
IUPAC Name4-iodo-1H-phenalene
SMILESIc1ccc2cccc3c2c1C=CC3
InChIInChI=1S/C13H9I/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-4,6-8H,5H2
InChIKeyFRXWDAIZJDCOBG-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.01
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

4-methyl-1H-phenalene;1H-phenalene
CID 173399695
cyclobutene;1H-phenalene
CID 175310152
4-ethenyl-1H-phenalene;N-methylmethanamine
CID 174594490
1H-phenalene;hydrofluoride
CID 174317076
pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5,7,9,12,14,16,19-decaene
CID 12054520
benzene;1H-phenalene;sulfane
CID 174365170
acetylene;benzene;1H-phenalene
CID 174693937
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587687
hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene
CID 173064560
ethane;isocyanic acid;1H-phenalene
CID 175301579
1-(1H-inden-4-yl)phenanthrene
CID 174767393

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1H-phenalene?
The IUPAC name of 4-iodo-1H-phenalene (CID 156512606) is 4-iodo-1H-phenalene.
What is the SMILES notation for 4-iodo-1H-phenalene?
The canonical SMILES for 4-iodo-1H-phenalene is Ic1ccc2cccc3c2c1C=CC3.
What is the InChIKey of 4-iodo-1H-phenalene?
The InChIKey is FRXWDAIZJDCOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9I/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-4,6-8H,5H2.
What are the key properties of 4-iodo-1H-phenalene?
4-iodo-1H-phenalene has a molecular weight of 292.12 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1H-phenalene is sourced from PubChem (CID 156512606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).