chempirical

1,7-Bis(9-acridinyl)heptane

C33H30N2CAS 141946-28-3454.62 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C33H30N2
Molar mass
454.62 g/mol
Exact mass
454.2409 Da
logP
8.83Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
141946-28-3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CCCCCCCC4=C5C=CC=CC5=NC6=CC=CC=C64
InChIKey
YDTZWEXADJYOBJ-UHFFFAOYSA-N
InChI
InChI=1S/C33H30N2/c1(2-4-14-24-26-16-6-10-20-30(26)34-31-21-11-7-17-27(24)31)3-5-15-25-28-18-8-12-22-32(28)35-33-23-13-9-19-29(25)33/h6-13,16-23H,1-5,14-15H2

Weigh it out

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

Work with 1,7-Bis(9-acridinyl)heptane

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

9-Bromomethylacridine1556-34-959 % similar 9-Chloroacridine1207-69-846 % similar 9-Methylacridine611-64-346 % similar 9-Phenylacridine602-56-245 % similar Phenazine92-82-043 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-142 % similar 2,4-Dihydroxyquinoline86-95-339 % similar 1,2,3,4-Tetrahydrocarbazole942-01-839 % similar

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

Elsewhere

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