Molecule ID: 44140595

IUPAC Name: 3,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-2-one;platinum(2+)

Description: The molecule is a platinum(II) porphyrin compound having a 2-keto group and eight ethyl substituents in the 3-, 3-, 7-, 8-, 12-, 13-, 17- and 18-positions. It has a role as a fluorochrome.

SMILES: CCC1=C(CC)C2=NC1=CC1=NC(=C([O-])C1(CC)CC)C=C1N=C(C=c3[n-]c(c(CC)c3CC)=C2)C(CC)=C1CC.[Pt+2]

SELFIES: [C][C][C][=C][Branch1][Ring1][C][C][C][=N][C][Ring1][#Branch1][=C][C][=N][C][=Branch1][=C][=C][Branch1][C][O-1][C][Ring1][=Branch1][Branch1][Ring1][C][C][C][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][=C][N-1][C][Branch1][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][=N][C][Branch1][Ring1][C][C][=C][Ring2][Ring1][C][C][C].[Pt+2]

InChI: InChI=1S/C36H45N4O.Pt/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28;/h17-20H,9-16H2,1-8H3,(H-,37,38,39,40,41);/q-1;+2/p-1

Molecular Properties:
- Polar Surface Area: 43.8 Ų
- LogP: nan