(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole iodide

Systemtic Name: (2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole iodide Openeye Name: (2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)vinyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole iodide CAS Name: (2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenyl-3-[(E)-2-(1,1,3-trimethyl-2-benzo[e]indol-3-iumyl)ethenyl]-1-cyclohex-2-enylidene]ethylidene]benzo[e]indole iodide IUPAC Name: (2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole iodide Traditional Name: (2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenyl-3-[(E)-2-(1,1,3-trimethylbenz[e]indol-3-ium-2-yl)vinyl]cyclohex-2-en-1-ylidene]ethylidene]benz[e]indole iodide Formula: C46H45IN2 MolecularWeight: 752.76737

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)C8=CC=CC=C8)C.[I-]

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)C8=CC=CC=C8)C.[I-]

InChI

InChI=1S/C46H45N2.HI/c1-45(2)40(47(5)38-27-23-31-15-10-12-21-36(31)43(38)45)29-25-34-19-14-20-35(42(34)33-17-8-7-9-18-33)26-30-41-46(3,4)44-37-22-13-11-16-32(37)24-28-39(44)48(41)6;/h7-13,15-18,21-30H,14,19-20H2,1-6H3;1H/q+1;/p-1