1,4-diiodobenzene;1,3,5-triiodobenzene

C12H7I5 — CID 19861513

IUPAC1,4-diiodobenzene;1,3,5-triiodobenzene
SMILESIc1cc(I)cc(I)c1.Ic1ccc(I)cc1
InChIInChI=1S/C6H3I3.C6H4I2/c7-4-1-5(8)3-6(9)2-4;7-5-1-2-6(8)4-3-5/h1-3H;1-4H
InChIKeyDXHPKXWPTVWFQI-UHFFFAOYSA-N
MW785.71 g/mol
LogP6.40
Rot. Bonds

About 1,4-diiodobenzene;1,3,5-triiodobenzene

1,4-diiodobenzene;1,3,5-triiodobenzene (PubChem CID 19861513) has the molecular formula C12H7I5 and a molecular weight of 785.71 g/mol. Its IUPAC name is 1,4-diiodobenzene;1,3,5-triiodobenzene.

Molecular Properties

Compound Name1,4-diiodobenzene;1,3,5-triiodobenzene
PubChem CID19861513
Molecular FormulaC12H7I5
Molecular Weight785.71 g/mol
Exact Mass785.58
IUPAC Name1,4-diiodobenzene;1,3,5-triiodobenzene
SMILESIc1cc(I)cc(I)c1.Ic1ccc(I)cc1
InChIInChI=1S/C6H3I3.C6H4I2/c7-4-1-5(8)3-6(9)2-4;7-5-1-2-6(8)4-3-5/h1-3H;1-4H
InChIKeyDXHPKXWPTVWFQI-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.71
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-diiodobenzene;1,3,5-triiodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenyl diselenide
CID 15460
Iodobenzene
CID 11575
Diphenylmercury
CID 11488
Iodosylbenzene
CID 92125
Diphenyl ditelluride
CID 100657
Diphenyliodonium chloride
CID 73870
Iodonium, diphenyl-, hexafluoroarsenate(1-) (1:1)
CID 2737135
Diphenylstannane
CID 70535
1,2-Diiodobenzene
CID 11994
p-Diiodobenzene
CID 12208
Benzene, 1,1'-selenobis-
CID 14333
Iodonium, diphenyl-, bromide (1:1)
CID 73871

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodobenzene;1,3,5-triiodobenzene?
The IUPAC name of 1,4-diiodobenzene;1,3,5-triiodobenzene (CID 19861513) is 1,4-diiodobenzene;1,3,5-triiodobenzene.
What is the SMILES notation for 1,4-diiodobenzene;1,3,5-triiodobenzene?
The canonical SMILES for 1,4-diiodobenzene;1,3,5-triiodobenzene is Ic1cc(I)cc(I)c1.Ic1ccc(I)cc1.
What is the InChIKey of 1,4-diiodobenzene;1,3,5-triiodobenzene?
The InChIKey is DXHPKXWPTVWFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I3.C6H4I2/c7-4-1-5(8)3-6(9)2-4;7-5-1-2-6(8)4-3-5/h1-3H;1-4H.
What are the key properties of 1,4-diiodobenzene;1,3,5-triiodobenzene?
1,4-diiodobenzene;1,3,5-triiodobenzene has a molecular weight of 785.71 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodobenzene;1,3,5-triiodobenzene is sourced from PubChem (CID 19861513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).