(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene

C22H22Br2 — CID 16754305

IUPAC(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
SMILESCC1(C)Cc2cc(Br)ccc2/C1=C1\c2ccc(Br)cc2CC1(C)C
InChIInChI=1S/C22H22Br2/c1-21(2)11-13-9-15(23)5-7-17(13)19(21)20-18-8-6-16(24)10-14(18)12-22(20,3)4/h5-10H,11-12H2,1-4H3/b20-19-
InChIKeyDWSFAUOOIRICAD-VXPUYCOJSA-N
MW446.23 g/mol
LogP7.29
Rot. Bonds

About (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene

(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene (PubChem CID 16754305) has the molecular formula C22H22Br2 and a molecular weight of 446.23 g/mol. Its IUPAC name is (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene.

Molecular Properties

Compound Name(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
PubChem CID16754305
Molecular FormulaC22H22Br2
Molecular Weight446.23 g/mol
Exact Mass444.01
IUPAC Name(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
SMILESCC1(C)Cc2cc(Br)ccc2/C1=C1\c2ccc(Br)cc2CC1(C)C
InChIInChI=1S/C22H22Br2/c1-21(2)11-13-9-15(23)5-7-17(13)19(21)20-18-8-6-16(24)10-14(18)12-22(20,3)4/h5-10H,11-12H2,1-4H3/b20-19-
InChIKeyDWSFAUOOIRICAD-VXPUYCOJSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.23
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
CID 155929540
2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589
methyl (2S)-6-bromo-2-[(2S)-6-bromo-2-methoxycarbonyl-3-oxo-1H-inden-2-yl]-3-oxo-1H-indene-2-carboxylate
CID 164686557
2-bromo-7-methyl-9H-fluorene
CID 21041918
CID 16754304
CID 16754304
5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 22349568
5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one
CID 23584321
(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile
CID 175573984
(2S)-5-bromospiro[3H-indene-2,3'-oxolane]-1,2'-dione
CID 56642761
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene?
The IUPAC name of (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene (CID 16754305) is (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene.
What is the SMILES notation for (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene?
The canonical SMILES for (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene is CC1(C)Cc2cc(Br)ccc2/C1=C1\c2ccc(Br)cc2CC1(C)C.
What is the InChIKey of (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene?
The InChIKey is DWSFAUOOIRICAD-VXPUYCOJSA-N. The full InChI is InChI=1S/C22H22Br2/c1-21(2)11-13-9-15(23)5-7-17(13)19(21)20-18-8-6-16(24)10-14(18)12-22(20,3)4/h5-10H,11-12H2,1-4H3/b20-19-.
What are the key properties of (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene?
(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene has a molecular weight of 446.23 g/mol, XLogP of 7.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene is sourced from PubChem (CID 16754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).