Molecule ID: 4939

IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium

Description: The molecule is a quaternary ammonium ion and a member of phenanthridines. It has a role as an intercalator and a fluorochrome.

SMILES: CC[N+](C)(CC)CCCn1c2cc(=N)ccc-2c2ccc([NH3+])cc2c1-c1ccccc1

SELFIES: [C][C][N+1][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][N][C][=C][C][=Branch1][C][=N][C][=C][C][Ring1][#Branch1][=C][C][=C][C][Branch1][C][NH3+1][=C][C][Ring1][#Branch1][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1

Molecular Properties:
- Polar Surface Area: 55.9 Ų
- LogP: 4.9