2,7-Dibromo-9-(1-octylnonyl)-9H-carbazole

C₂₉H₄₁Br₂NCAS 955964-73-5563.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₉H₄₁Br₂N
Molar mass: 563.46 g/mol
Exact mass: 561.1606 Da
logP: 11.36Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 15

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

955964-73-5

SMILES

CCCCCCCCC(CCCCCCCC)N1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br

InChIKey

HRUNMSCVUSIWQM-UHFFFAOYSA-N

InChI

InChI=1S/C29H41Br2N/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)32-28-21-23(30)17-19-26(28)27-20-18-24(31)22-29(27)32/h17-22,25H,3-16H2,1-2H3

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Names and synonyms

1 names

2,7-Dibromo-9-(9-heptadecyl)carbazole

Work with 2,7-Dibromo-9-(1-octylnonyl)-9H-carbazole

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

2,7-Dibromo-9-hexylcarbazole654676-12-763 % similar 9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole958261-51-355 % similar 1-Bromo-4-dodecylbenzene126930-72-143 % similar 1-(4-Bromophenyl)hexane23703-22-243 % similar 1-(4-Bromophenyl)octane51554-93-943 % similar 1-Bromo-4-nonylbenzene51554-94-043 % similar 1-Bromo-4-N-heptylbenzene76287-49-543 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-642 % similar

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

Elsewhere

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