4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene

C20H17I — CID 139318667

IUPAC4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene
SMILESCc1ccc(-c2ccc(I)c(-c3ccccc3)c2)cc1C
InChIInChI=1S/C20H17I/c1-14-8-9-17(12-15(14)2)18-10-11-20(21)19(13-18)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyWTIVTZOEAVOHMY-UHFFFAOYSA-N
MW384.26 g/mol
LogP6.24
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene

4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene (PubChem CID 139318667) has the molecular formula C20H17I and a molecular weight of 384.26 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene
PubChem CID139318667
Molecular FormulaC20H17I
Molecular Weight384.26 g/mol
Exact Mass384.04
IUPAC Name4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene
SMILESCc1ccc(-c2ccc(I)c(-c3ccccc3)c2)cc1C
InChIInChI=1S/C20H17I/c1-14-8-9-17(12-15(14)2)18-10-11-20(21)19(13-18)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyWTIVTZOEAVOHMY-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-iodo-3-phenylphenyl)naphthalene
CID 144938534
1-iodo-2,3-dimethyl-4-(3-methyl-4-phenylphenyl)benzene
CID 170131212
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
1-iodo-2-methyl-3,5-diphenylbenzene
CID 167224590
1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044
1,2-dimethyl-4-phenylbenzene;2H-triazole
CID 158820785
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene?
The IUPAC name of 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene (CID 139318667) is 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene is Cc1ccc(-c2ccc(I)c(-c3ccccc3)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene?
The InChIKey is WTIVTZOEAVOHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17I/c1-14-8-9-17(12-15(14)2)18-10-11-20(21)19(13-18)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene?
4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene has a molecular weight of 384.26 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene is sourced from PubChem (CID 139318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).