1,2,4,5-tetrakis(4-iodophenyl)benzene

C30H18I4 — CID 68659626

IUPAC1,2,4,5-tetrakis(4-iodophenyl)benzene
SMILESIc1ccc(-c2cc(-c3ccc(I)cc3)c(-c3ccc(I)cc3)cc2-c2ccc(I)cc2)cc1
InChIInChI=1S/C30H18I4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H
InChIKeyORIJMJFHAATKRM-UHFFFAOYSA-N
MW886.09 g/mol
LogP10.77
Rot. Bonds4

About 1,2,4,5-tetrakis(4-iodophenyl)benzene

1,2,4,5-tetrakis(4-iodophenyl)benzene (PubChem CID 68659626) has the molecular formula C30H18I4 and a molecular weight of 886.09 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(4-iodophenyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis(4-iodophenyl)benzene
PubChem CID68659626
Molecular FormulaC30H18I4
Molecular Weight886.09 g/mol
Exact Mass885.76
IUPAC Name1,2,4,5-tetrakis(4-iodophenyl)benzene
SMILESIc1ccc(-c2cc(-c3ccc(I)cc3)c(-c3ccc(I)cc3)cc2-c2ccc(I)cc2)cc1
InChIInChI=1S/C30H18I4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H
InChIKeyORIJMJFHAATKRM-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.09
LogP ≤ 510.77
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 1,2,4,5-tetrakis(4-iodophenyl)benzene?
The IUPAC name of 1,2,4,5-tetrakis(4-iodophenyl)benzene (CID 68659626) is 1,2,4,5-tetrakis(4-iodophenyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrakis(4-iodophenyl)benzene?
The canonical SMILES for 1,2,4,5-tetrakis(4-iodophenyl)benzene is Ic1ccc(-c2cc(-c3ccc(I)cc3)c(-c3ccc(I)cc3)cc2-c2ccc(I)cc2)cc1.
What is the InChIKey of 1,2,4,5-tetrakis(4-iodophenyl)benzene?
The InChIKey is ORIJMJFHAATKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18I4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H.
What are the key properties of 1,2,4,5-tetrakis(4-iodophenyl)benzene?
1,2,4,5-tetrakis(4-iodophenyl)benzene has a molecular weight of 886.09 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis(4-iodophenyl)benzene is sourced from PubChem (CID 68659626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).