2-Bromo-13,13-dimethyl-6,11-di-2-naphthalenyl-13H-indeno[1,2-B]anthracene

C₄₃H₂₉BrCAS 1196107-75-1625.61 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄₃H₂₉Br
Molar mass: 625.61 g/mol
Exact mass: 624.1453 Da
logP: 12.70Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

1196107-75-1

SMILES

CC1(C2=CC3=C(C4=CC=CC=C4C(=C3C=C2C5=C1C=C(C=C5)Br)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8)C

InChIKey

CERVAJOMYJBUAB-UHFFFAOYSA-N

InChI

InChI=1S/C43H29Br/c1-43(2)39-23-32(44)19-20-33(39)36-24-37-38(25-40(36)43)42(31-18-16-27-10-4-6-12-29(27)22-31)35-14-8-7-13-34(35)41(37)30-17-15-26-9-3-5-11-28(26)21-30/h3-25H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Bromo-13,13-dimethyl-6,11-di(naphthalen-2-yl)-13h-indeno[1,2-b]anthracene

Work with 2-Bromo-13,13-dimethyl-6,11-di-2-naphthalenyl-13H-indeno[1,2-B]anthracene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-11,11-dimethyl-11H-benzo[B]fluorene1198396-39-265 % similar 9-Bromo-7,7-dimethyl-7H-benzo[C]fluorene1198396-46-160 % similar 5,9-Dibromo-7,7-dimethyl-7H-benzo(c)fluorene1056884-35-555 % similar 2,7-Dibromo-9,9-dimethylfluorene28320-32-352 % similar 9,10-Bis(2-naphthyl)anthracene122648-99-148 % similar 3-Bromo-9,9-dimethylfluorene1190360-23-647 % similar 1196107-73-91196107-73-946 % similar (7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)1213768-48-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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