bis(2,3,3-trimethylindole);dihydrobromide

C22H28Br2N2 — CID 175169971

IUPACbis(2,3,3-trimethylindole);dihydrobromide
SMILESBr.Br.CC1=Nc2ccccc2C1(C)C.CC1=Nc2ccccc2C1(C)C
InChIInChI=1S/2C11H13N.2BrH/c2*1-8-11(2,3)9-6-4-5-7-10(9)12-8;;/h2*4-7H,1-3H3;2*1H
InChIKeyBVIBDRFKGLOVJJ-UHFFFAOYSA-N
MW480.29 g/mol
LogP7.30
Rot. Bonds

About bis(2,3,3-trimethylindole);dihydrobromide

bis(2,3,3-trimethylindole);dihydrobromide (PubChem CID 175169971) has the molecular formula C22H28Br2N2 and a molecular weight of 480.29 g/mol. Its IUPAC name is bis(2,3,3-trimethylindole);dihydrobromide.

Molecular Properties

Compound Namebis(2,3,3-trimethylindole);dihydrobromide
PubChem CID175169971
Molecular FormulaC22H28Br2N2
Molecular Weight480.29 g/mol
Exact Mass478.06
IUPAC Namebis(2,3,3-trimethylindole);dihydrobromide
SMILESBr.Br.CC1=Nc2ccccc2C1(C)C.CC1=Nc2ccccc2C1(C)C
InChIInChI=1S/2C11H13N.2BrH/c2*1-8-11(2,3)9-6-4-5-7-10(9)12-8;;/h2*4-7H,1-3H3;2*1H
InChIKeyBVIBDRFKGLOVJJ-UHFFFAOYSA-N
XLogP7.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylindole-3-carbaldehyde
CID 174957699
3,3-dimethylindole-2-carbonitrile
CID 2752626
3,3-dimethyl-2-phenylindole;ethane
CID 90996712
1-(3,3-dimethylindol-2-yl)ethanone
CID 2752622
2-(2,3-dimethylindol-3-yl)ethylphosphonic acid
CID 58084036
3,3-dimethyl-2-phenylindole;iridium
CID 21014664
(E)-2-(3,3-dimethylindol-2-yl)-3-hydroxyprop-2-enal
CID 139068970
3-(4-hydroxysulfanylbutyl)-2,3-dimethylindole
CID 145279729
4-(2,3-dimethylindol-3-yl)butanoic acid
CID 59360624
2,3,3-trimethyl-5-phenylmethoxyindole
CID 153467530
5-isocyano-2,3,3-trimethylindole
CID 20740982
3-(3,3-dimethylindol-2-yl)propanoic acid
CID 142727423

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3-trimethylindole);dihydrobromide?
The IUPAC name of bis(2,3,3-trimethylindole);dihydrobromide (CID 175169971) is bis(2,3,3-trimethylindole);dihydrobromide.
What is the SMILES notation for bis(2,3,3-trimethylindole);dihydrobromide?
The canonical SMILES for bis(2,3,3-trimethylindole);dihydrobromide is Br.Br.CC1=Nc2ccccc2C1(C)C.CC1=Nc2ccccc2C1(C)C.
What is the InChIKey of bis(2,3,3-trimethylindole);dihydrobromide?
The InChIKey is BVIBDRFKGLOVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13N.2BrH/c2*1-8-11(2,3)9-6-4-5-7-10(9)12-8;;/h2*4-7H,1-3H3;2*1H.
What are the key properties of bis(2,3,3-trimethylindole);dihydrobromide?
bis(2,3,3-trimethylindole);dihydrobromide has a molecular weight of 480.29 g/mol, XLogP of 7.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3-trimethylindole);dihydrobromide is sourced from PubChem (CID 175169971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).