About 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene
15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene (PubChem CID 161008084) has the molecular formula C432H338Ir3N22O27S-6
and a molecular weight of 6878.30 g/mol. Its IUPAC name is 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene.
Frequently Asked Questions
What is the IUPAC name of 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
The IUPAC name of 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene (CID 161008084) is 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene.
What is the SMILES notation for 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
The canonical SMILES for 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene is CC(=O)C(=C(C)O)N1CCOCCOCCOc2ccc(cc2)-c2ccc3ccc4ccc(nc4c3n2)-c2ccc(cc2)OCCOCCOCC1.Cc1cnc(-c2[c-]ccc(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)c2)cc1-c1ccccc1.[Ir].[Ir].[Ir].[c-]1ccc(-c2cc3cc(c2)-c2cccc(c2)-c2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)-c2ccc4ccc5ccc(nc5c4n2)-c2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)-c2cccc-3c2)cc1-c1ccccn1.[c-]1ccccc1-c1[c-]ccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2sc3c(N4CCOCCOCCOc5ccc(cc5)-c5ccc6ccc7ccc(nc7c6n5)-c5ccc(cc5)OCCOCCOCC4)cccc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cc(c4)c4cccc(c4)c4ccc(cc4)c4cccc(c4)c4ccc(cc4)c4ccc(cc4)c4ccc6ccc7ccc(nc7c6n4)c4ccc(cc4)c4ccc(cc4)c4ccc(cc4)c4cccc5c4)ccc32)cc1.c1ccc2c(c1)oc1c(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)cccc12.
What is the InChIKey of 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
The InChIKey is VLPMAWIYYISPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N4.C77H48N3.C72H59N3O6S.C54H51N4O6.C48H45N3O7.C41H45N3O8.C16H10.2C11H8N.3Ir/c1-2-17-89(18-3-1)105-97-21-6-4-19-91(97)93-63-85(51-55-99(93)105)86-52-56-100-94(64-86)92-20-5-7-22-98(92)106(100)90-61-87-60-88(62-90)84-16-10-14-82(59-84)74-37-35-73(36-38-74)80-12-8-11-79(57-80)71-31-29-68(30-32-71)70-41-45-76(46-42-70)96-54-50-78-48-47-77-49-53-95(103-101(77)102(78)104-96)75-43-39-69(40-44-75)66-25-23-65(24-26-66)67-27-33-72(34-28-67)81-13-9-15-83(87)58-81;1-2-41-78-73(18-1)69-17-7-16-68(46-69)72-48-70-47-71(49-72)67-15-6-13-65(45-67)53-25-21-51(22-26-53)61-9-4-11-63(43-61)55-29-33-57(34-30-55)75-40-38-59-36-35-58-37-39-74(79-76(58)77(59)80-75)56-31-27-54(28-32-56)62-10-3-8-60(42-62)50-19-23-52(24-20-50)64-12-5-14-66(70)44-64;1-2-9-60-58(7-1)59-8-3-4-10-61(59)65-47-54(25-32-62(60)65)48-15-17-49(18-16-48)57-11-5-12-63-64-13-6-14-68(72(64)82-71(57)63)75-35-37-76-39-41-78-43-45-80-55-28-21-50(22-29-55)66-33-26-52-19-20-53-27-34-67(74-70(53)69(52)73-66)51-23-30-56(31-24-51)81-46-44-79-42-40-77-38-36-75;1-39-38-55-52(37-49(39)40-6-3-2-4-7-40)45-8-5-9-46(36-45)58-24-26-59-28-30-61-32-34-63-47-18-12-41(13-19-47)50-22-16-43-10-11-44-17-23-51(57-54(44)53(43)56-50)42-14-20-48(21-15-42)64-35-33-62-31-29-60-27-25-58;1-2-7-45-40(4-1)41-5-3-6-44(48(41)58-45)51-22-24-52-26-28-54-30-32-56-38-16-10-34(11-17-38)42-20-14-36-8-9-37-15-21-43(50-47(37)46(36)49-42)35-12-18-39(19-13-35)57-33-31-55-29-27-53-25-23-51;1-29(45)41(30(2)46)44-17-19-47-21-23-49-25-27-51-35-11-5-31(6-12-35)37-15-9-33-3-4-34-10-16-38(43-40(34)39(33)42-37)32-7-13-36(14-8-32)52-28-26-50-24-22-48-20-18-44;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-64H;1-16,18-49H;1-34,47H,35-46H2;2-7,9-23,36-38H,24-35H2,1H3;1-21H,22-33H2;3-16,45H,17-28H2,1-2H3;1-7,9-11H;2*1-6,8-9H;;;/q;-1;;-1;;;-2;2*-1;;;.
What are the key properties of 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene has a molecular weight of 6878.30 g/mol, XLogP of 100.24, 17 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 15-dibenzofuran-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;3-(6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaen-15-yl)-4-hydroxypent-3-en-2-one;tris(iridium);15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;1-phenyl-2H-naphthalen-2-ide;bis(2-phenylpyridine);22-(3-pyridin-2-ylbenzene-4-id-1-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;15-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene is sourced from PubChem (CID 161008084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).