1-(3-iodophenyl)-4-(3-phenylphenyl)benzene

C24H17I — CID 12670522

IUPAC1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
SMILESIc1cccc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c1
InChIInChI=1S/C24H17I/c25-24-11-5-10-23(17-24)20-14-12-19(13-15-20)22-9-4-8-21(16-22)18-6-2-1-3-7-18/h1-17H
InChIKeyKODFUSHYUQCEQY-UHFFFAOYSA-N
MW432.30 g/mol
LogP7.29
Rot. Bonds3

About 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene

1-(3-iodophenyl)-4-(3-phenylphenyl)benzene (PubChem CID 12670522) has the molecular formula C24H17I and a molecular weight of 432.30 g/mol. Its IUPAC name is 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
PubChem CID12670522
Molecular FormulaC24H17I
Molecular Weight432.30 g/mol
Exact Mass432.04
IUPAC Name1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
SMILESIc1cccc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c1
InChIInChI=1S/C24H17I/c25-24-11-5-10-23(17-24)20-14-12-19(13-15-20)22-9-4-8-21(16-22)18-6-2-1-3-7-18/h1-17H
InChIKeyKODFUSHYUQCEQY-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 57.29
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-(3-iodophenyl)-4-(3-phenylphenyl)benzene?
The IUPAC name of 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene (CID 12670522) is 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene?
The canonical SMILES for 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene is Ic1cccc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c1.
What is the InChIKey of 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene?
The InChIKey is KODFUSHYUQCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17I/c25-24-11-5-10-23(17-24)20-14-12-19(13-15-20)22-9-4-8-21(16-22)18-6-2-1-3-7-18/h1-17H.
What are the key properties of 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene?
1-(3-iodophenyl)-4-(3-phenylphenyl)benzene has a molecular weight of 432.30 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-4-(3-phenylphenyl)benzene is sourced from PubChem (CID 12670522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).