1,1-Diethyl-2,2-dicarbocyanine iodide

• CAS: 14187-31-6
• Catalog Number: ACM14187316
• Category: Organic & Printed Electronics
• Molecular Weight: 506.4g/mol
• Molecular Formula: C27H27IN2
• Synonyms: 1-ethyl-2-[5-(1-ethyl-2(1h)-quinolinylidene)-1,3-pentadienyl]-quinoliniuio;1,1-DIETHYL-2,2-DICARBOCYANINE IODIDE;1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide;1,1-Diethyl-2,2-quinodicarbocyanine iodide;1,1-DIETHYL-2,2-DICAR
• IUPAC Name: (2E)-1-ethyl-2-[(2E,4E)-5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline;iodide
• Canonical SMILES: CCN1C(=CC=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]
• InChI: InChI=1S/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
• InChI Key: ZFYDGPJXMYCXNV-UHFFFAOYSA-M
• Complexity: 591
• Covalently-Bonded Unit Count: 2
• EC Number: 238-040-8
• Exact Mass: 506.1219g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 30
• Monoisotopic Mass: 506.1219g/mol
• Rotatable Bond Count: 5

Custom Q&A

What is the molecular formula of 1,1-Diethyl-2,2-dicarbocyanine iodide?

The molecular formula is C27H27IN2.

What are some synonyms for 1,1-Diethyl-2,2-dicarbocyanine iodide?

Some synonyms include 14187-31-6, 1-ethyl-2-(5-(1-ethyl-2(1H)-quinolinylidene)-1,3-pentadien-1-yl)-, iodide, and Quinolinium, 1-ethyl-2-[5-(1-ethyl-2(1H)-quinolinylidene)-1,3-pentadien-1-yl]-, iodide.

What is the molecular weight of 1,1-Diethyl-2,2-dicarbocyanine iodide?

The molecular weight is 506.4 g/mol.

What is the IUPAC name of 1,1-Diethyl-2,2-dicarbocyanine iodide?

The IUPAC name is (2E)-1-ethyl-2-[(2E,4E)-5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline;iodide.

What is the InChIKey of 1,1-Diethyl-2,2-dicarbocyanine iodide?

The InChIKey is ZFYDGPJXMYCXNV-UHFFFAOYSA-M.

How many hydrogen bond acceptor count does 1,1-Diethyl-2,2-dicarbocyanine iodide have?

It has 2 hydrogen bond acceptors.

What is the topological polar surface area of 1,1-Diethyl-2,2-dicarbocyanine iodide?

The topological polar surface area is 7.1Ų.

How many rotatable bond count does 1,1-Diethyl-2,2-dicarbocyanine iodide have?

It has 5 rotatable bonds.

What is the exact mass of 1,1-Diethyl-2,2-dicarbocyanine iodide?

The exact mass is 506.12190 g/mol.

How many defined bond stereocenter count does 1,1-Diethyl-2,2-dicarbocyanine iodide have?

It has 3 defined bond stereocenters.