1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene

C19H9FI6 — CID 144502349

IUPAC1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene
SMILESCc1cc(I)c(-c2ccc(-c3cc(I)c(F)c(I)c3)c(I)c2I)c(I)c1
InChIInChI=1S/C19H9FI6/c1-8-4-12(21)16(13(22)5-8)11-3-2-10(18(25)19(11)26)9-6-14(23)17(20)15(24)7-9/h2-7H,1H3
InChIKeyHCSQFYTYGNTBJU-UHFFFAOYSA-N
MW1017.70 g/mol
LogP9.10
Rot. Bonds2

About 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene

1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene (PubChem CID 144502349) has the molecular formula C19H9FI6 and a molecular weight of 1017.70 g/mol. Its IUPAC name is 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene.

Molecular Properties

Compound Name1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene
PubChem CID144502349
Molecular FormulaC19H9FI6
Molecular Weight1017.70 g/mol
Exact Mass1017.50
IUPAC Name1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene
SMILESCc1cc(I)c(-c2ccc(-c3cc(I)c(F)c(I)c3)c(I)c2I)c(I)c1
InChIInChI=1S/C19H9FI6/c1-8-4-12(21)16(13(22)5-8)11-3-2-10(18(25)19(11)26)9-6-14(23)17(20)15(24)7-9/h2-7H,1H3
InChIKeyHCSQFYTYGNTBJU-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.70
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene 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

2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene
CID 134171342
1-(2,6-diiodophenyl)-4-[4-[[4-[4-(2,6-diiodophenyl)-2,3-diiodophenyl]-2,6-diiodophenyl]methyl]-3,5-diiodophenyl]-3-iodo-2-methylbenzene
CID 144502352
4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
CID 144502966
2-fluoro-1-iodo-3-methoxy-5-methylbenzene
CID 67684213
1-[2,6-diiodo-4-(trifluoromethoxy)phenyl]-4-[4-[4-[4-[2,6-diiodo-4-(trifluoromethoxy)phenyl]-2-iodo-3-methylphenyl]-3-iodo-2-methylphenyl]-2,3-diiodophenyl]-2,3-diiodobenzene
CID 144502169
3-fluoro-1,2-diiodo-4-methylbenzene
CID 130967572
1,2-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-3-iodobenzene
CID 122546409
1-(5-chloro-2-fluorophenyl)-2-iodo-4-methylbenzene
CID 172676581
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
2,6-diiodo-4-methylphenol
CID 4541084
1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene
CID 130307947

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene?
The IUPAC name of 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene (CID 144502349) is 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene.
What is the SMILES notation for 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene?
The canonical SMILES for 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene is Cc1cc(I)c(-c2ccc(-c3cc(I)c(F)c(I)c3)c(I)c2I)c(I)c1.
What is the InChIKey of 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene?
The InChIKey is HCSQFYTYGNTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9FI6/c1-8-4-12(21)16(13(22)5-8)11-3-2-10(18(25)19(11)26)9-6-14(23)17(20)15(24)7-9/h2-7H,1H3.
What are the key properties of 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene?
1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene has a molecular weight of 1017.70 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene is sourced from PubChem (CID 144502349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).