About 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene
19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene (PubChem CID 158083054) has the molecular formula C160H111N15O6S+10
and a molecular weight of 2371.81 g/mol. Its IUPAC name is 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene?
The IUPAC name of 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene (CID 158083054) is 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene.
What is the SMILES notation for 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene?
The canonical SMILES for 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene is CC1=C(c2ccccc2)CCc2cc[n+]3c(c21)-c1cccc2c1C31c3c(cccc3-n3ccc[n+]31)O2.Cc1c(-c2ccccc2)c2c3c(c1-c1ccccc1)-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2.Cc1c(-c2ccccc2)cc2c3c1-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2.Cc1c[n+]2c(c(C)c1-c1ccc(-c3ccccc3)o1)-c1cccc3c1C21c2c(cccc2-n2ccc[n+]21)O3.Cc1cc2[n+](c(C)c1-c1ccc(-c3ccccc3)s1)C13c4c(cccc4-2)Oc2cccc(c21)-n1ccc[n+]13.
What is the InChIKey of 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene?
The InChIKey is PSHSWEZTHXGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O.C33H23N3O2.C33H23N3OS.C32H23N3O.C28H19N3O/c1-22-28(23-12-4-2-5-13-23)30-25-16-8-9-19-35(25)34-31-26(36-20-11-21-37(34)36)17-10-18-27(31)38-33(32(30)34)29(22)24-14-6-3-7-15-24;1-20-19-34-32(21(2)29(20)26-16-15-25(37-26)22-9-4-3-5-10-22)23-11-6-13-27-30(23)33(34)31-24(12-7-14-28(31)38-27)35-17-8-18-36(33)35;1-20-19-25-23-11-6-13-26-31(23)33(32-24(12-7-14-27(32)37-26)34-17-8-18-35(33)34)36(25)21(2)30(20)29-16-15-28(38-29)22-9-4-3-5-10-22;1-20-23(21-8-3-2-4-9-21)15-14-22-16-19-33-31(28(20)22)24-10-5-12-26-29(24)32(33)30-25(11-6-13-27(30)36-26)34-17-7-18-35(32)34;1-18-20(19-9-3-2-4-10-19)17-24-27-25(18)21-11-5-6-14-29(21)28(27)26-22(12-7-13-23(26)32-24)30-15-8-16-31(28)30/h2-21H,1H3;2*3-19H,1-2H3;2-13,16-19H,14-15H2,1H3;2-17H,1H3/q5*+2.
What are the key properties of 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene?
19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene has a molecular weight of 2371.81 g/mol, XLogP of 29.80, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 19,21-dimethyl-20-(5-phenylfuran-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;20,22-dimethyl-21-(5-phenylthiophen-2-yl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene;16-methyl-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;9-methyl-8-phenyl-17-oxa-23-aza-2,27-diazoniaoctacyclo[14.11.1.11,18.02,11.05,10.012,28.023,27.022,29]nonacosa-2(11),3,5(10),8,12(28),13,15,18,20,22(29),24,26-dodecaene is sourced from PubChem (CID 158083054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).