About 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol
13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol (PubChem CID 158192931) has the molecular formula C308H178N36O16
and a molecular weight of 4639.05 g/mol. Its IUPAC name is 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol.
Frequently Asked Questions
What is the IUPAC name of 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol?
The IUPAC name of 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol (CID 158192931) is 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol.
What is the SMILES notation for 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol?
The canonical SMILES for 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol is Oc1c2cccc1c1ccc3ccc4ccc(nc4c3n1)c1cccc(c1O)c1ccc([nH]1)c(-c1c3ccccc3c(-c3c4nc(c5cccc(c5O)c5ccc6ccc7ccc(nc7c6n5)c5cccc(c5O)c5ccc3[nH]5)C=C4)c3ccccc13)c1nc2C=C1.Oc1c2cccc1c1ccc3ccc4ccc(nc4c3n1)c1cccc(c1O)c1ccc([nH]1)c(-c1ccc3cc(-c4c5nc(c6cccc(c6O)c6ccc7ccc8ccc(nc8c7n6)c6cccc(c6O)c6ccc4[nH]6)C=C5)ccc3c1)c1nc2C=C1.Oc1c2cccc1c1ccc3ccc4ccc(nc4c3n1)c1cccc(c1O)c1ccc([nH]1)c(-c1cnc3c(ccc4cc(-c5c6nc(c7cccc(c7O)c7ccc8ccc9ccc(nc9c8n7)c7cccc(c7O)c7ccc5[nH]7)C=C6)cnc43)c1)c1nc2C=C1.Oc1c2cccc1c1nc3c(ccc4ccc5[nH]c(nc5c43)c3cccc(c3O)c3ccc([nH]3)c(-c3ccc(-c4c5nc(c6cccc(c6O)c6nc7c(ccc8ccc9c(nc(c%10cccc(c%10O)c%10ccc4[nH]%10)C9)c87)[nH]6)C=C5)cc3)c3nc2C=C3)C1.
What is the InChIKey of 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol?
The InChIKey is FZZICOOQJRXKCO-JGCYLGEFSA-N. The full InChI is InChI=1S/C80H46N8O4.C78H44N10O4.C76H44N8O4.C74H44N10O4/c89-77-49-13-5-17-53(77)61-29-25-41-21-22-42-26-30-62(86-74(42)73(41)85-61)54-18-6-14-50(78(54)90)58-34-38-66(82-58)71(65-37-33-57(49)81-65)69-45-9-1-2-10-46(45)70(48-12-4-3-11-47(48)69)72-67-39-35-59(83-67)51-15-7-19-55(79(51)91)63-31-27-43-23-24-44-28-32-64(88-76(44)75(43)87-63)56-20-8-16-52(80(56)92)60-36-40-68(72)84-60;89-75-47-5-1-9-51(75)59-23-19-39-13-14-40-20-24-60(86-72(40)71(39)85-59)52-10-2-6-48(76(52)90)56-28-32-64(82-56)67(63-31-27-55(47)81-63)45-35-43-17-18-44-36-46(38-80-70(44)69(43)79-37-45)68-65-33-29-57(83-65)49-7-3-11-53(77(49)91)61-25-21-41-15-16-42-22-26-62(88-74(42)73(41)87-61)54-12-4-8-50(78(54)92)58-30-34-66(68)84-58;85-73-47-5-1-9-51(73)59-25-21-39-13-14-40-22-26-60(82-70(40)69(39)81-59)52-10-2-6-48(74(52)86)56-30-34-64(78-56)67(63-33-29-55(47)77-63)45-19-17-44-38-46(20-18-43(44)37-45)68-65-35-31-57(79-65)49-7-3-11-53(75(49)87)61-27-23-41-15-16-42-24-28-62(84-72(42)71(41)83-61)54-12-4-8-50(76(54)88)58-32-36-66(68)80-58;85-69-41-5-1-9-45(69)59-33-39-19-17-37-21-23-57-67(63(37)65(39)79-59)83-73(81-57)47-11-3-7-43(71(47)87)51-27-31-55(77-51)61(53-29-25-49(41)75-53)35-13-15-36(16-14-35)62-54-30-26-50(76-54)42-6-2-10-46(70(42)86)60-34-40-20-18-38-22-24-58-68(64(38)66(40)80-60)84-74(82-58)48-12-4-8-44(72(48)88)52-28-32-56(62)78-52/h1-40,81,83,89-92H;1-38,81,83,89-92H;1-38,77,79,85-88H;1-32,75,78,85-88H,33-34H2,(H,81,83)(H,82,84)/b71-66+,72-68+;2*67-64-,68-66-;61-55-,62-54-.
What are the key properties of 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol?
13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol has a molecular weight of 4639.05 g/mol, XLogP of 72.34, 8 rotatable bonds, 26 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(36,39-dihydroxy-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9(38),10,12,14,16,18(36),19,21,23,25,27,29(33),30-octadecaen-13-yl)phenyl]-2,24,34,37,38-pentazanonacyclo[23.7.1.13,32.14,8.19,12.114,17.118,22.123,26.029,33]nonatriaconta-1(32),2,4,6,8(39),9,11,13,15,17(37),18(36),19,21,23,25,27,29(33),30-octadecaene-36,39-diol;11-[10-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)anthracen-9-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[6-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)naphthalen-2-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol;11-[8-(34,37-dihydroxy-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaen-11-yl)-1,10-phenanthrolin-3-yl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol is sourced from PubChem (CID 158192931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).