2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde

C16H8I2O2 — CID 174804512

IUPAC2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1c2ccc(I)cc2cc2ccc(I)cc12
InChIInChI=1S/C16H8I2O2/c17-11-3-4-13-10(6-11)5-9-1-2-12(18)7-14(9)16(13)15(20)8-19/h1-8H
InChIKeyCFZUQPPBDVDJPZ-UHFFFAOYSA-N
MW486.05 g/mol
LogP4.58
Rot. Bonds2

About 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde

2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde (PubChem CID 174804512) has the molecular formula C16H8I2O2 and a molecular weight of 486.05 g/mol. Its IUPAC name is 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
PubChem CID174804512
Molecular FormulaC16H8I2O2
Molecular Weight486.05 g/mol
Exact Mass485.86
IUPAC Name2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1c2ccc(I)cc2cc2ccc(I)cc12
InChIInChI=1S/C16H8I2O2/c17-11-3-4-13-10(6-11)5-9-1-2-12(18)7-14(9)16(13)15(20)8-19/h1-8H
InChIKeyCFZUQPPBDVDJPZ-UHFFFAOYSA-N
XLogP4.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.05
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
CID 174804513
2-oxo-2-pentacen-6-ylacetaldehyde
CID 87834317
2-oxo-2-pentaphen-13-ylacetaldehyde
CID 174594406
2-oxo-2-(1,2,3,4-tetramethylpentacen-6-yl)acetaldehyde
CID 174771570
1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
7-iodonaphthalene-1,3-diol
CID 176890151
1,6-diiodoanthracene
CID 130319188
2-ethynyl-7-iodophenanthrene
CID 131953556
7-iodo-3-methylnaphthalene-1-sulfonic acid
CID 90369019
2-(3,6-diphenylphenanthren-9-yl)-2-oxoacetaldehyde
CID 175598919
ethyl 6-iodo-3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 138973630
3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol
CID 101493673

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde (CID 174804512) is 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde is O=CC(=O)c1c2ccc(I)cc2cc2ccc(I)cc12.
What is the InChIKey of 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde?
The InChIKey is CFZUQPPBDVDJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8I2O2/c17-11-3-4-13-10(6-11)5-9-1-2-12(18)7-14(9)16(13)15(20)8-19/h1-8H.
What are the key properties of 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde?
2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde has a molecular weight of 486.05 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174804512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).