4-[5-(1-adamantyl)-2-dibenzothiophen-2-yl-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-(1-adamantyl)-2-dibenzothiophen-2-yl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-dibenzothiophen-2-yl-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2-dibenzothiophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-dibenzothiophen-2-yl-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-dibenzothiophen-2-yl-1H-indol-3-yl]butylamine Formula: C34H36N2S MolecularWeight: 504.72804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC7=C(C=C6)SC8=CC=CC=C87

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC7=C(C=C6)SC8=CC=CC=C87

InChI

InChI=1S/C34H36N2S/c35-12-4-3-6-27-28-17-25(34-18-21-13-22(19-34)15-23(14-21)20-34)9-10-30(28)36-33(27)24-8-11-32-29(16-24)26-5-1-2-7-31(26)37-32/h1-2,5,7-11,16-17,21-23,36H,3-4,6,12-15,18-20,35H2