Molecule ID: 86290043

IUPAC Name: (1S,2S)-cyclohexane-1,2-diamine;5,6-dimethyl-1,10-phenanthroline;platinum

Description: The molecule is a platinum coordination entity consisting of 5,6-dimethyl-1,10-phenanthroline and 1S,2S-diaminocyclohexane moieties bound via their nitrogen atoms to a central platinum atom. It has a role as an antineoplastic agent. It is a platinum coordination entity and an organic cation.

SMILES: Cc1c(C)c2cccnc2c2ncccc12.N[C@H]1CCCC[C@@H]1N.[Pt]

SELFIES: [C][C][=C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][#C][Ring1][=Branch1].[N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N].[Pt]

InChI: InChI=1S/C14H12N2.C6H14N2.Pt/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;7-5-3-1-2-4-6(5)8;/h3-8H,1-2H3;5-6H,1-4,7-8H2;/t;5-,6-;/m.0./s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: nan