(2E)-5-methoxy-2-[(E)-3-(5-methoxy-1,3,3-trimethyl-indol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethyl-indole; tetrakis(4-phenylphenyl)boranuide

Systemtic Name: (2E)-5-methoxy-2-[(E)-3-(5-methoxy-1,3,3-trimethyl-indol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethyl-indole; tetrakis(4-phenylphenyl)boranuide Openeye Name: 5-methoxy-2-[(E,3E)-3-(5-methoxy-1,3,3-trimethyl-indolin-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-indol-1-ium; tetrakis(4-phenylphenyl)boranuide CAS Name: (2E)-5-methoxy-2-[(E)-3-(5-methoxy-1,3,3-trimethyl-2-indol-1-iumyl)prop-2-enylidene]-1,3,3-trimethylindole; tetrakis(4-phenylphenyl)boranuide IUPAC Name: (2E)-5-methoxy-2-[(E)-3-(5-methoxy-1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethylindole; tetrakis(4-phenylphenyl)boranuide Traditional Name: 5-methoxy-2-[(E,3E)-3-(5-methoxy-1,3,3-trimethyl-indolin-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-indol-1-ium; tetrakis(4-phenylphenyl)boranuide Formula: C75H69BN2O2 MolecularWeight: 1041.17356

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8.CC1(C2=C(C=CC(=C2)OC)[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)OC)(C)C)C)C

Isomeric SMILES

[B-](C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8.CC1(C2=C(C=CC(=C2)OC)[N+](=C1/C=C/C=C/3\C(C4=C(N3C)C=CC(=C4)OC)(C)C)C)C

InChI

InChI=1S/C48H36B.C27H33N2O2/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;1-26(2)20-16-18(30-7)12-14-22(20)28(5)24(26)10-9-11-25-27(3,4)21-17-19(31-8)13-15-23(21)29(25)6/h1-36H;9-17H,1-8H3/q-1;+1