1-iodo-2-(4-phenylphenyl)benzene

C18H13I — CID 12595491

IUPAC1-iodo-2-(4-phenylphenyl)benzene
SMILESIc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13I/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyUCVPLJBRQBRGRL-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.63
Rot. Bonds2

About 1-iodo-2-(4-phenylphenyl)benzene

1-iodo-2-(4-phenylphenyl)benzene (PubChem CID 12595491) has the molecular formula C18H13I and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-iodo-2-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-iodo-2-(4-phenylphenyl)benzene
PubChem CID12595491
Molecular FormulaC18H13I
Molecular Weight356.21 g/mol
Exact Mass356.01
IUPAC Name1-iodo-2-(4-phenylphenyl)benzene
SMILESIc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13I/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyUCVPLJBRQBRGRL-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-iodo-2-(4-phenylphenyl)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-iodo-2-(2-phenylphenyl)benzene
CID 12595499
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
1-iodo-2-[3-(3-iodophenyl)phenyl]benzene
CID 139304916
2-(4-iodo-3-phenylphenyl)naphthalene
CID 144938534
1-iodo-2-methoxy-3-phenylbenzene
CID 164896113
benzene;tris(1,1'-biphenyl)
CID 162155747
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene
CID 139318667

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(4-phenylphenyl)benzene?
The IUPAC name of 1-iodo-2-(4-phenylphenyl)benzene (CID 12595491) is 1-iodo-2-(4-phenylphenyl)benzene.
What is the SMILES notation for 1-iodo-2-(4-phenylphenyl)benzene?
The canonical SMILES for 1-iodo-2-(4-phenylphenyl)benzene is Ic1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-iodo-2-(4-phenylphenyl)benzene?
The InChIKey is UCVPLJBRQBRGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13I/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-iodo-2-(4-phenylphenyl)benzene?
1-iodo-2-(4-phenylphenyl)benzene has a molecular weight of 356.21 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(4-phenylphenyl)benzene is sourced from PubChem (CID 12595491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).