naphthalocyanine

Also known as Tetrabenzo[g]quinoxalino-2,3-porphyrazine

Naphthalocyanine is a cross-shaped organic molecule consisting of 48 carbon, 8 nitrogen and 26 hydrogen atoms. It is a derivative of phthalocyanine, differing by having 4 extra carbon rings, one on each "arm." IBM Research labs used it for developing single-molecule logic switches and visualizing charge distribution in a single molecule.

In the Vinony graph

Vinony's link graph records 4 inbound references to naphthalocyanine, and connects out to hydrogen, carbon and nitrogen.

It is catalogued under topics including Chembox image size set, Molecular electronics and Phthalocyanines.

Vinony links it to 6 Wikipedia language editions.

Chemical data

Formula: C48H26N8
Molecular weight: 714.8 g/mol
IUPAC name: 2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29(54),30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C(N5)N=C8C9=CC1=CC=CC=C1C=C9C(=N8)N=C1C2=CC5=CC=CC=C5C=C2C(=N1)N=C3N4
InChIKey: LKKPNUDVOYAOBB-UHFFFAOYSA-N
XLogP: 11.4
Polar surface area: 109 Å²
H-bond donors: 2
H-bond acceptors: 6
Formal charge: 0

via PubChem

Wikidata facts

Mass: 714.228043

Show 3 more facts

canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C(N5)N=C8C9=CC1=CC=CC=C1C=C9C(=N8)N=C1C2=CC5=CC=CC=C5C=C2C(=N1)N=C3N4
chemical formula: C₄₈H₂₆N₈
Commons category: Naphthalocyanine

Sources (2)

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