1-iodo-2-methyl-3,5-diphenylbenzene

C19H15I — CID 167224590

IUPAC1-iodo-2-methyl-3,5-diphenylbenzene
SMILESCc1c(I)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H15I/c1-14-18(16-10-6-3-7-11-16)12-17(13-19(14)20)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyDTRGHQNCNGGUOK-UHFFFAOYSA-N
MW370.23 g/mol
LogP5.93
Rot. Bonds2

About 1-iodo-2-methyl-3,5-diphenylbenzene

1-iodo-2-methyl-3,5-diphenylbenzene (PubChem CID 167224590) has the molecular formula C19H15I and a molecular weight of 370.23 g/mol. Its IUPAC name is 1-iodo-2-methyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-iodo-2-methyl-3,5-diphenylbenzene
PubChem CID167224590
Molecular FormulaC19H15I
Molecular Weight370.23 g/mol
Exact Mass370.02
IUPAC Name1-iodo-2-methyl-3,5-diphenylbenzene
SMILESCc1c(I)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H15I/c1-14-18(16-10-6-3-7-11-16)12-17(13-19(14)20)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyDTRGHQNCNGGUOK-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 55.93
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

5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2-bromo-1-iodo-3,5-diphenylbenzene
CID 167285522
4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine
CID 58692950
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene
CID 139318667
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
CID 18962676
CID 18962676
1-iodo-2,3-dimethyl-4-(3-methyl-4-phenylphenyl)benzene
CID 170131212
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
1-iodo-2-(2-phenylphenyl)benzene
CID 12595499

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-3,5-diphenylbenzene?
The IUPAC name of 1-iodo-2-methyl-3,5-diphenylbenzene (CID 167224590) is 1-iodo-2-methyl-3,5-diphenylbenzene.
What is the SMILES notation for 1-iodo-2-methyl-3,5-diphenylbenzene?
The canonical SMILES for 1-iodo-2-methyl-3,5-diphenylbenzene is Cc1c(I)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-iodo-2-methyl-3,5-diphenylbenzene?
The InChIKey is DTRGHQNCNGGUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15I/c1-14-18(16-10-6-3-7-11-16)12-17(13-19(14)20)15-8-4-2-5-9-15/h2-13H,1H3.
What are the key properties of 1-iodo-2-methyl-3,5-diphenylbenzene?
1-iodo-2-methyl-3,5-diphenylbenzene has a molecular weight of 370.23 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-3,5-diphenylbenzene is sourced from PubChem (CID 167224590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).