2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine ruthenium(II) carbonyl

CAS

41636-35-5

Catalog Number

ACM41636355-1

Category

Organic & Printed Electronics

Molecular Weight

661.8

Molecular Formula

C37H44N4ORu

MSDS COA Spec Sheet

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Specification

Synonyms

Carbon monoxide;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;ruthenium(2+)

IUPAC Name

carbon monoxide;2,3,7,8,12,13,17,18-octaethyl-1,4,5,10,11,14,15,20,21,23-decahydroporphyrin-22,24-diide;ruthenium(2+);

Canonical SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[C-]#[O+].[Ru+2]

InChI

InChI=1S/C36H44N4.CO.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2;/h17-20H,9-16H2,1-8H3;/q-2;+2

InChI Key

CRTFSNIGJRIMPF-UHFFFAOYSA-N

Complexity

797

Covalently-Bonded Unit Count

Exact Mass

662.255852

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

662.255852

Rotatable Bond Count

Topological Polar Surface Area

27.7 Å²

Undefined Atom Stereocenter Count

January 20, 2023

High performance film-forming raw materials
2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine ruthenium(II) carbonyl can form a blended polymer film with poly (3-hexylthiophene-2,5-diyl) (P3HT).