1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene

C39H18F6I8O2 — CID 144502790

IUPAC1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene
SMILESFC(F)(F)Oc1ccc(-c2ccc(-c3ccc(Cc4ccc(-c5ccc(-c6ccc(OC(F)(F)F)cc6)c(I)c5I)c(I)c4I)c(I)c3I)c(I)c2I)cc1
InChIInChI=1S/C39H18F6I8O2/c40-38(41,42)54-22-7-1-18(2-8-22)24-13-15-28(36(52)32(24)48)26-11-5-20(30(46)34(26)50)17-21-6-12-27(35(51)31(21)47)29-16-14-25(33(49)37(29)53)19-3-9-23(10-4-19)55-39(43,44)45/h1-16H,17H2
InChIKeyMPDWQQHEVUEYPA-UHFFFAOYSA-N
MW1647.79 g/mol
LogP16.58
Rot. Bonds8

About 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene

1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene (PubChem CID 144502790) has the molecular formula C39H18F6I8O2 and a molecular weight of 1647.79 g/mol. Its IUPAC name is 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene.

Molecular Properties

Compound Name1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene
PubChem CID144502790
Molecular FormulaC39H18F6I8O2
Molecular Weight1647.79 g/mol
Exact Mass1647.36
IUPAC Name1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene
SMILESFC(F)(F)Oc1ccc(-c2ccc(-c3ccc(Cc4ccc(-c5ccc(-c6ccc(OC(F)(F)F)cc6)c(I)c5I)c(I)c4I)c(I)c3I)c(I)c2I)cc1
InChIInChI=1S/C39H18F6I8O2/c40-38(41,42)54-22-7-1-18(2-8-22)24-13-15-28(36(52)32(24)48)26-11-5-20(30(46)34(26)50)17-21-6-12-27(35(51)31(21)47)29-16-14-25(33(49)37(29)53)19-3-9-23(10-4-19)55-39(43,44)45/h1-16H,17H2
InChIKeyMPDWQQHEVUEYPA-UHFFFAOYSA-N
XLogP16.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001647.79
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene with MolForge

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Related Compounds

1-[4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2-iodophenyl]methyl]-3-iodophenyl]-2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]benzene
CID 162591376
2,3-diiodo-1-[3-iodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-methylbenzene
CID 144502130
2-[4-[[4-[2,6-diiodo-4-(trifluoromethoxy)phenyl]-2-iodophenyl]methyl]-3-iodophenyl]-1,3-diiodo-5-(trifluoromethoxy)benzene
CID 142304753
1-butyl-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436412
1-(bromomethyl)-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134625614
1-(chloromethyl)-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134626487
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631491
1-(chloromethyl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 170552809

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene?
The IUPAC name of 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene (CID 144502790) is 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene.
What is the SMILES notation for 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene?
The canonical SMILES for 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene is FC(F)(F)Oc1ccc(-c2ccc(-c3ccc(Cc4ccc(-c5ccc(-c6ccc(OC(F)(F)F)cc6)c(I)c5I)c(I)c4I)c(I)c3I)c(I)c2I)cc1.
What is the InChIKey of 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene?
The InChIKey is MPDWQQHEVUEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H18F6I8O2/c40-38(41,42)54-22-7-1-18(2-8-22)24-13-15-28(36(52)32(24)48)26-11-5-20(30(46)34(26)50)17-21-6-12-27(35(51)31(21)47)29-16-14-25(33(49)37(29)53)19-3-9-23(10-4-19)55-39(43,44)45/h1-16H,17H2.
What are the key properties of 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene?
1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene has a molecular weight of 1647.79 g/mol, XLogP of 16.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene is sourced from PubChem (CID 144502790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).