1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene

C18H8Cl2I4 — CID 122400325

IUPAC1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene
SMILESClc1ccc(-c2cc(I)c(-c3ccc(Cl)cc3I)cc2I)c(I)c1
InChIInChI=1S/C18H8Cl2I4/c19-9-1-3-11(15(21)5-9)13-7-18(24)14(8-17(13)23)12-4-2-10(20)6-16(12)22/h1-8H
InChIKeyYRFNPKDGIWZGRC-UHFFFAOYSA-N
MW802.78 g/mol
LogP8.75
Rot. Bonds2

About 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene

1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene (PubChem CID 122400325) has the molecular formula C18H8Cl2I4 and a molecular weight of 802.78 g/mol. Its IUPAC name is 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene.

Molecular Properties

Compound Name1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene
PubChem CID122400325
Molecular FormulaC18H8Cl2I4
Molecular Weight802.78 g/mol
Exact Mass801.62
IUPAC Name1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene
SMILESClc1ccc(-c2cc(I)c(-c3ccc(Cl)cc3I)cc2I)c(I)c1
InChIInChI=1S/C18H8Cl2I4/c19-9-1-3-11(15(21)5-9)13-7-18(24)14(8-17(13)23)12-4-2-10(20)6-16(12)22/h1-8H
InChIKeyYRFNPKDGIWZGRC-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.78
LogP ≤ 58.75
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 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene?
The IUPAC name of 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene (CID 122400325) is 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene.
What is the SMILES notation for 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene?
The canonical SMILES for 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene is Clc1ccc(-c2cc(I)c(-c3ccc(Cl)cc3I)cc2I)c(I)c1.
What is the InChIKey of 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene?
The InChIKey is YRFNPKDGIWZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2I4/c19-9-1-3-11(15(21)5-9)13-7-18(24)14(8-17(13)23)12-4-2-10(20)6-16(12)22/h1-8H.
What are the key properties of 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene?
1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene has a molecular weight of 802.78 g/mol, XLogP of 8.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene is sourced from PubChem (CID 122400325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).