1-(iodomethyl)-1-methyl-2,3-diphenylindene

C23H19I — CID 102347889

IUPAC1-(iodomethyl)-1-methyl-2,3-diphenylindene
SMILESCC1(CI)C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19I/c1-23(16-24)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)22(23)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyJWNYCKUYTINLRR-UHFFFAOYSA-N
MW422.31 g/mol
LogP6.35
Rot. Bonds3

About 1-(iodomethyl)-1-methyl-2,3-diphenylindene

1-(iodomethyl)-1-methyl-2,3-diphenylindene (PubChem CID 102347889) has the molecular formula C23H19I and a molecular weight of 422.31 g/mol. Its IUPAC name is 1-(iodomethyl)-1-methyl-2,3-diphenylindene.

Molecular Properties

Compound Name1-(iodomethyl)-1-methyl-2,3-diphenylindene
PubChem CID102347889
Molecular FormulaC23H19I
Molecular Weight422.31 g/mol
Exact Mass422.05
IUPAC Name1-(iodomethyl)-1-methyl-2,3-diphenylindene
SMILESCC1(CI)C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19I/c1-23(16-24)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)22(23)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyJWNYCKUYTINLRR-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.31
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-1-methyl-2,3-diphenylindene?
The IUPAC name of 1-(iodomethyl)-1-methyl-2,3-diphenylindene (CID 102347889) is 1-(iodomethyl)-1-methyl-2,3-diphenylindene.
What is the SMILES notation for 1-(iodomethyl)-1-methyl-2,3-diphenylindene?
The canonical SMILES for 1-(iodomethyl)-1-methyl-2,3-diphenylindene is CC1(CI)C(c2ccccc2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(iodomethyl)-1-methyl-2,3-diphenylindene?
The InChIKey is JWNYCKUYTINLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19I/c1-23(16-24)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)22(23)18-12-6-3-7-13-18/h2-15H,16H2,1H3.
What are the key properties of 1-(iodomethyl)-1-methyl-2,3-diphenylindene?
1-(iodomethyl)-1-methyl-2,3-diphenylindene has a molecular weight of 422.31 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-1-methyl-2,3-diphenylindene is sourced from PubChem (CID 102347889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).