1-iodo-2-[3-(3-iodophenyl)phenyl]benzene

C18H12I2 — CID 139304916

IUPAC1-iodo-2-[3-(3-iodophenyl)phenyl]benzene
SMILESIc1cccc(-c2cccc(-c3ccccc3I)c2)c1
InChIInChI=1S/C18H12I2/c19-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-18(17)20/h1-12H
InChIKeyVDVKTTPIWOBIDW-UHFFFAOYSA-N
MW482.10 g/mol
LogP6.23
Rot. Bonds2

About 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene

1-iodo-2-[3-(3-iodophenyl)phenyl]benzene (PubChem CID 139304916) has the molecular formula C18H12I2 and a molecular weight of 482.10 g/mol. Its IUPAC name is 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene.

Molecular Properties

Compound Name1-iodo-2-[3-(3-iodophenyl)phenyl]benzene
PubChem CID139304916
Molecular FormulaC18H12I2
Molecular Weight482.10 g/mol
Exact Mass481.90
IUPAC Name1-iodo-2-[3-(3-iodophenyl)phenyl]benzene
SMILESIc1cccc(-c2cccc(-c3ccccc3I)c2)c1
InChIInChI=1S/C18H12I2/c19-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-18(17)20/h1-12H
InChIKeyVDVKTTPIWOBIDW-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.10
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
CID 12670522
2-(3-iodophenyl)benzenethiol
CID 141498433
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646
2,3-bis(3-iodophenyl)phenol
CID 174395473
1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene
CID 118041830
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene
CID 158985946
1-iodo-2-(2-phenylphenyl)benzene
CID 12595499
4-(3-iodophenyl)benzenethiol
CID 86021802
4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
CID 135215553

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene?
The IUPAC name of 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene (CID 139304916) is 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene.
What is the SMILES notation for 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene?
The canonical SMILES for 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene is Ic1cccc(-c2cccc(-c3ccccc3I)c2)c1.
What is the InChIKey of 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene?
The InChIKey is VDVKTTPIWOBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12I2/c19-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-18(17)20/h1-12H.
What are the key properties of 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene?
1-iodo-2-[3-(3-iodophenyl)phenyl]benzene has a molecular weight of 482.10 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[3-(3-iodophenyl)phenyl]benzene is sourced from PubChem (CID 139304916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).