1,1-dibromo-2,2,3-trimethyl-3-phenylindene

C18H18Br2 — CID 139978488

IUPAC1,1-dibromo-2,2,3-trimethyl-3-phenylindene
SMILESCC1(c2ccccc2)c2ccccc2C(Br)(Br)C1(C)C
InChIInChI=1S/C18H18Br2/c1-16(2)17(3,13-9-5-4-6-10-13)14-11-7-8-12-15(14)18(16,19)20/h4-12H,1-3H3
InChIKeyXWKWFFJZNYRPRG-UHFFFAOYSA-N
MW394.15 g/mol
LogP5.97
Rot. Bonds1

About 1,1-dibromo-2,2,3-trimethyl-3-phenylindene

1,1-dibromo-2,2,3-trimethyl-3-phenylindene (PubChem CID 139978488) has the molecular formula C18H18Br2 and a molecular weight of 394.15 g/mol. Its IUPAC name is 1,1-dibromo-2,2,3-trimethyl-3-phenylindene.

Molecular Properties

Compound Name1,1-dibromo-2,2,3-trimethyl-3-phenylindene
PubChem CID139978488
Molecular FormulaC18H18Br2
Molecular Weight394.15 g/mol
Exact Mass391.98
IUPAC Name1,1-dibromo-2,2,3-trimethyl-3-phenylindene
SMILESCC1(c2ccccc2)c2ccccc2C(Br)(Br)C1(C)C
InChIInChI=1S/C18H18Br2/c1-16(2)17(3,13-9-5-4-6-10-13)14-11-7-8-12-15(14)18(16,19)20/h4-12H,1-3H3
InChIKeyXWKWFFJZNYRPRG-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.15
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 12742317
1-bromo-2,2,3-trimethyl-3-phenyl-1H-indene
CID 66887594
2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
CID 46918541
1-bromo-1,2,2,3,3-pentamethylindene
CID 141477429
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
CID 134979823
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
2,3,3,4,4-pentamethyl-2-phenylchromene
CID 57198131
1-methyl-1,3-diphenylindene
CID 11977257
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-2,2,3-trimethyl-3-phenylindene?
The IUPAC name of 1,1-dibromo-2,2,3-trimethyl-3-phenylindene (CID 139978488) is 1,1-dibromo-2,2,3-trimethyl-3-phenylindene.
What is the SMILES notation for 1,1-dibromo-2,2,3-trimethyl-3-phenylindene?
The canonical SMILES for 1,1-dibromo-2,2,3-trimethyl-3-phenylindene is CC1(c2ccccc2)c2ccccc2C(Br)(Br)C1(C)C.
What is the InChIKey of 1,1-dibromo-2,2,3-trimethyl-3-phenylindene?
The InChIKey is XWKWFFJZNYRPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2/c1-16(2)17(3,13-9-5-4-6-10-13)14-11-7-8-12-15(14)18(16,19)20/h4-12H,1-3H3.
What are the key properties of 1,1-dibromo-2,2,3-trimethyl-3-phenylindene?
1,1-dibromo-2,2,3-trimethyl-3-phenylindene has a molecular weight of 394.15 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2,2,3-trimethyl-3-phenylindene is sourced from PubChem (CID 139978488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).