2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene

C20H15I3 — CID 144502547

IUPAC2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3cccc(C)c3I)c(I)c2I)cc1
InChIInChI=1S/C20H15I3/c1-12-6-8-14(9-7-12)15-10-11-17(20(23)19(15)22)16-5-3-4-13(2)18(16)21/h3-11H,1-2H3
InChIKeyBTQTTYWBHQLLFI-UHFFFAOYSA-N
MW636.05 g/mol
LogP7.45
Rot. Bonds2

About 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene

2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene (PubChem CID 144502547) has the molecular formula C20H15I3 and a molecular weight of 636.05 g/mol. Its IUPAC name is 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene
PubChem CID144502547
Molecular FormulaC20H15I3
Molecular Weight636.05 g/mol
Exact Mass635.83
IUPAC Name2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3cccc(C)c3I)c(I)c2I)cc1
InChIInChI=1S/C20H15I3/c1-12-6-8-14(9-7-12)15-10-11-17(20(23)19(15)22)16-5-3-4-13(2)18(16)21/h3-11H,1-2H3
InChIKeyBTQTTYWBHQLLFI-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.05
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene?
The IUPAC name of 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene (CID 144502547) is 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene?
The canonical SMILES for 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(-c3cccc(C)c3I)c(I)c2I)cc1.
What is the InChIKey of 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene?
The InChIKey is BTQTTYWBHQLLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15I3/c1-12-6-8-14(9-7-12)15-10-11-17(20(23)19(15)22)16-5-3-4-13(2)18(16)21/h3-11H,1-2H3.
What are the key properties of 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene?
2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene has a molecular weight of 636.05 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene is sourced from PubChem (CID 144502547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).