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

C40H18F6I10O2 — CID 144502169

IUPAC1-[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
SMILESCc1c(-c2ccc(-c3ccc(-c4c(I)cc(OC(F)(F)F)cc4I)c(I)c3I)c(I)c2I)ccc(-c2ccc(-c3c(I)cc(OC(F)(F)F)cc3I)c(C)c2I)c1I
InChIInChI=1S/C40H18F6I10O2/c1-15-19(3-5-22(33(15)51)23-6-4-20(16(2)34(23)52)31-27(47)11-17(12-28(31)48)57-39(41,42)43)21-7-8-24(36(54)35(21)53)25-9-10-26(38(56)37(25)55)32-29(49)13-18(14-30(32)50)58-40(44,45)46/h3-14H,1-2H3
InChIKeySUDQXLGSPSFRLQ-UHFFFAOYSA-N
MW1913.61 g/mol
LogP18.48
Rot. Bonds7

About 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

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 (PubChem CID 144502169) has the molecular formula C40H18F6I10O2 and a molecular weight of 1913.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID144502169
Molecular FormulaC40H18F6I10O2
Molecular Weight1913.61 g/mol
Exact Mass1913.17
IUPAC Name1-[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
SMILESCc1c(-c2ccc(-c3ccc(-c4c(I)cc(OC(F)(F)F)cc4I)c(I)c3I)c(I)c2I)ccc(-c2ccc(-c3c(I)cc(OC(F)(F)F)cc3I)c(C)c2I)c1I
InChIInChI=1S/C40H18F6I10O2/c1-15-19(3-5-22(33(15)51)23-6-4-20(16(2)34(23)52)31-27(47)11-17(12-28(31)48)57-39(41,42)43)21-7-8-24(36(54)35(21)53)25-9-10-26(38(56)37(25)55)32-29(49)13-18(14-30(32)50)58-40(44,45)46/h3-14H,1-2H3
InChIKeySUDQXLGSPSFRLQ-UHFFFAOYSA-N
XLogP18.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001913.61
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
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
2-bromo-1,3-diiodo-5-(trifluoromethoxy)benzene;2,6-diiodo-4-(trifluoromethoxy)aniline
CID 158214774
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
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
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
1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene
CID 144502349
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184
2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118830517
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccc(-c3ccc(-c4c(I)cc(OC(F)(F)F)cc4I)c(I)c3I)c(I)c2I)ccc(-c2ccc(-c3c(I)cc(OC(F)(F)F)cc3I)c(C)c2I)c1I.
What is the InChIKey of 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?
The InChIKey is SUDQXLGSPSFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H18F6I10O2/c1-15-19(3-5-22(33(15)51)23-6-4-20(16(2)34(23)52)31-27(47)11-17(12-28(31)48)57-39(41,42)43)21-7-8-24(36(54)35(21)53)25-9-10-26(38(56)37(25)55)32-29(49)13-18(14-30(32)50)58-40(44,45)46/h3-14H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1913.61 g/mol, XLogP of 18.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144502169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).