6-Carboxy-X-rhodamine

C₃₃H₃₀N₂O₅CAS 194785-18-7534.61 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₃₃H₃₀N₂O₅
Molar mass: 534.61 g/mol
Exact mass: 534.2155 Da
logP: 2.18Crippen estimate
Polar surface area: 92.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

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

194785-18-7

SMILES

C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)[O-])C(=O)O)CCC7

InChIKey

WQZIDRAQTRIQDX-UHFFFAOYSA-N

InChI

InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(33(38)39)24(17-20)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)

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Work with 6-Carboxy-X-rhodamine

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

Coumarin 34355804-65-436 % similar

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

Elsewhere

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