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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Related Compounds

3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
2',3'-diphenylspiro[dioxirane-3,1'-indene]
CID 57211511
2'-(4-methylphenyl)-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 141452538
1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
CID 132604356
(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682129
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
9-methyl-9-propylfluorene
CID 13283188
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
CID 86051025
1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol
CID 56958688
1,1-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-phenylindene
CID 135024724
1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene
CID 12704594
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973

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).