Basic information
- CAS
93940-96-6- Standard SMILES
CN(C)CCCN.CN(C)CCCN.[Co+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c4SCCS1)-c1ccccc1-3)c1c2SCCS1- InChIKey
ROKANZGSURRWOD-UHFFFAOYSA-N- Molecular formula
- C38H44CoN12S4
- Average molar mass
- 856 g/mol
- Monoisotopic mass
- 855.202668
Names & identifiers
- Preferred name
- Bis(N,N-dimethylpropane-1,3-diamine-N')(2,3,16,17-tetrahydro-29H,31H-dibenzo(b,l)bis(1,4)dithiino(2,3-g:2',3'-q)porphyrazinato(2-)-N29,N30,N31,N32)cobalt
- IUPAC
- cobalt(2+);bis(N',N'-dimethylpropane-1,3-diamine);5,8,23,26-tetrathia-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,9,11,13,15,17,19(39),20,22(27),28,30(37),31,33,35-pentadecaene
Names & synonyms
EINECS 300-495-693940-96-6Bis(N,N-dimethylpropane-1,3-diamine-N')(2,3,16,17-tetrahydro-29H,31H-dibenzo(b,l)bis(1,4)dithiino(2,3-g:2',3'-q)porphyrazinato(2-)-N29,N30,N31,N32)cobalt
Database identifiers
- CAS
93940-96-6- PubChem CID
- 56841198
- EC Number
- 300-495-6
Properties
Computed structural properties
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…