Cyanine5 NHS ester

• CAS: 1032678-42-4
• Catalog Number: ACM1032678424-1
• Category: Cyanine Fluorophores
• Molecular Weight: 616.2
• Molecular Formula: C36H42ClN3O4
• Synonyms: 1-(8-((2,5-dioxopyrrolidin-1-yl)oxy)-8-oxooctyl)-3,3-dimethyl-2-((1E,3E,5Z)-5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-iumchloride
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)8-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]octanoate;hydrochloride
• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.Cl
• InChI: InChI=1S/C38H46N3O4.ClH/c1-37(2)28-18-13-15-20-30(28)39(5)32(37)22-10-9-11-23-33-38(3,4)29-19-14-16-21-31(29)40(33)27-17-8-6-7-12-24-36(44)45-41-34(42)25-26-35(41)43;/h9-11,13-16,18-23H,6-8,12,17,24-27H2,1-5H3;1H/q+1
• InChI Key: DOOTYHJFDNJMLS-UHFFFAOYSA-N
• Appearance: Dark blue powder
• Storage: -20 °C and dry

Custom Q&A

What is the molecular formula of [1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone?

The molecular formula is C25H24N2O2.

What is the molecular weight of [1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone?

The molecular weight is 384.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.

What is the InChIKey of the compound?

The InChIKey is SZWYXJHTNGJPKU-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.2.

How many rotatable bonds does the compound have?

The compound has 5 rotatable bonds.

What is the exact mass of the compound?

The exact mass is 384.183778013 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 34.5 Ų.

How many heavy atoms are present in the compound?

There are 29 heavy atoms in the compound.