Molecule ID: 599086

IUPAC Name: 3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

Description: The molecule is a ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'. It is a ring assembly, a calycanthaceous alkaloid and a pyrroloindole.

SMILES: CN1CCC2(C34CCN(C)C3Nc3ccccc34)c3ccccc3NC12

SELFIES: [C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3

Molecular Properties:
- Polar Surface Area: 30.5 Ų
- LogP: 3.9