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

C38H19I11 — CID 144502352

IUPAC1-(2,6-diiodophenyl)-4-[4-[[4-[4-(2,6-diiodophenyl)-2,3-diiodophenyl]-2,6-diiodophenyl]methyl]-3,5-diiodophenyl]-3-iodo-2-methylbenzene
SMILESCc1c(-c2c(I)cccc2I)ccc(-c2cc(I)c(Cc3c(I)cc(-c4ccc(-c5c(I)cccc5I)c(I)c4I)cc3I)c(I)c2)c1I
InChIInChI=1S/C38H19I11/c1-17-20(34-26(39)4-2-5-27(34)40)8-9-21(36(17)47)18-12-30(43)24(31(44)13-18)16-25-32(45)14-19(15-33(25)46)22-10-11-23(38(49)37(22)48)35-28(41)6-3-7-29(35)42/h2-15H,16H2,1H3
InChIKeyWLFANRDAFVKRTP-UHFFFAOYSA-N
MW1871.51 g/mol
LogP16.90
Rot. Bonds6

About 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

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 (PubChem CID 144502352) has the molecular formula C38H19I11 and a molecular weight of 1871.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2,6-diiodophenyl)-4-[4-[[4-[4-(2,6-diiodophenyl)-2,3-diiodophenyl]-2,6-diiodophenyl]methyl]-3,5-diiodophenyl]-3-iodo-2-methylbenzene
PubChem CID144502352
Molecular FormulaC38H19I11
Molecular Weight1871.51 g/mol
Exact Mass1871.10
IUPAC Name1-(2,6-diiodophenyl)-4-[4-[[4-[4-(2,6-diiodophenyl)-2,3-diiodophenyl]-2,6-diiodophenyl]methyl]-3,5-diiodophenyl]-3-iodo-2-methylbenzene
SMILESCc1c(-c2c(I)cccc2I)ccc(-c2cc(I)c(Cc3c(I)cc(-c4ccc(-c5c(I)cccc5I)c(I)c4I)cc3I)c(I)c2)c1I
InChIInChI=1S/C38H19I11/c1-17-20(34-26(39)4-2-5-27(34)40)8-9-21(36(17)47)18-12-30(43)24(31(44)13-18)16-25-32(45)14-19(15-33(25)46)22-10-11-23(38(49)37(22)48)35-28(41)6-3-7-29(35)42/h2-15H,16H2,1H3
InChIKeyWLFANRDAFVKRTP-UHFFFAOYSA-N
XLogP16.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001871.51
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-(2,6-diiodo-4-methylphenyl)-4-(4-fluoro-3,5-diiodophenyl)-2,3-diiodobenzene
CID 144502349
1,3-diiodo-2-(4-methylphenyl)benzene
CID 23202442
2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
1-iodobiphenylene
CID 23220849
1-iodo-2-methyl-3,5-diphenylbenzene
CID 167224590
2,3-diiodo-1-(2-iodo-3-methylphenyl)-4-(4-methylphenyl)benzene
CID 144502547
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 160663252
4-[4-[4-[[4-[4-(4-cyano-3-iodophenyl)phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodophenyl]phenyl]-2-iodobenzonitrile
CID 144502275
(2,6-diiodophenyl)methanamine
CID 165176750
1,2,3-triiodobenzene
CID 139071365
2-benzyl-1-iodo-3-methylbenzene
CID 91202861

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2c(I)cccc2I)ccc(-c2cc(I)c(Cc3c(I)cc(-c4ccc(-c5c(I)cccc5I)c(I)c4I)cc3I)c(I)c2)c1I.
What is the InChIKey of 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?
The InChIKey is WLFANRDAFVKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19I11/c1-17-20(34-26(39)4-2-5-27(34)40)8-9-21(36(17)47)18-12-30(43)24(31(44)13-18)16-25-32(45)14-19(15-33(25)46)22-10-11-23(38(49)37(22)48)35-28(41)6-3-7-29(35)42/h2-15H,16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1871.51 g/mol, XLogP of 16.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144502352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).