About 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine
20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine (PubChem CID 161094354) has the molecular formula C435H283N15O3S4
and a molecular weight of 5896.42 g/mol. Its IUPAC name is 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine.
Frequently Asked Questions
What is the IUPAC name of 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine?
The IUPAC name of 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine (CID 161094354) is 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine.
What is the SMILES notation for 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine?
The canonical SMILES for 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccc2c4c(-c5ccccc5)c5c6cccc7c(N(c8ccccc8)c8ccc9ccccc9c8)ccc(c5c(-c5ccccc5)c4c4cccc1c42)c76)c1ccccc1C3(C)C.CC1(C)c2ccccc2N(c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccccc8)c8cccc9ccccc89)ccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)c2cc3sc4ccccc4c3cc21.CC1(C)c2ccccc2N(c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N8c9ccccc9Oc9ccccc98)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c2cc3c(cc21)c1ccccc1n3-c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N8c9ccccc9C(C)(C)c9cc%10c(cc98)oc8ccccc8%10)ccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)cc1.c1ccc(N(c2ccc3c(c2)-c2ccccc2-c2ccc(N4c5ccccc5N(c5ccccc5)c5cc6c(cc54)sc4ccccc46)cc2-c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)-c2ccccc2-c2ccc(N4c5ccccc5Sc5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc2-c2ccccc2-3)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine?
The InChIKey is UHPASQDTTONYDQ-UUYMNCCSSA-N. The full InChI is InChI=1S/C78H54N2.C77H49N3O.C75H48N2S.C73H50N2O.C66H41N3OS.C66H41N3S2/c1-77(2)61-35-17-16-30-53(61)60-45-64-68(46-63(60)77)80(67-37-19-18-36-62(67)78(64,3)4)66-43-41-59-72-55(66)32-21-34-57(72)74-70(49-25-10-6-11-26-49)75-58-40-42-65(79(51-28-12-7-13-29-51)52-39-38-47-22-14-15-27-50(47)44-52)54-31-20-33-56(71(54)58)73(75)69(76(59)74)48-23-8-5-9-24-48;1-77(2)57-33-13-15-35-62(57)79(66-45-65-56(44-58(66)77)49-28-12-14-34-59(49)78(65)48-26-10-5-11-27-48)60-42-40-54-71-50(60)29-20-31-52(71)73-69(46-22-6-3-7-23-46)76-55-41-43-61(80-63-36-16-18-38-67(63)81-68-39-19-17-37-64(68)80)51-30-21-32-53(72(51)55)74(76)70(75(54)73)47-24-8-4-9-25-47;1-75(2)58-35-15-16-36-63(58)77(64-44-66-57(43-59(64)75)50-30-14-17-38-65(50)78-66)62-42-40-56-70-52(62)32-20-34-54(70)72-68(47-24-8-4-9-25-47)73-55-39-41-61(76(48-27-10-5-11-28-48)60-37-18-26-45-21-12-13-29-49(45)60)51-31-19-33-53(69(51)55)71(73)67(74(56)72)46-22-6-3-7-23-46;1-43-29-33-47(34-30-43)74(48-35-31-44(2)32-36-48)59-39-37-54-67-50(59)22-15-24-52(67)69-65(45-17-7-5-8-18-45)72-55-38-40-60(51-23-16-25-53(68(51)55)70(72)66(71(54)69)46-19-9-6-10-20-46)75-61-27-13-12-26-57(61)73(3,4)58-41-56-49-21-11-14-28-63(49)76-64(56)42-62(58)75;1-3-17-42(18-4-1)67(45-33-36-64-58(39-45)54-26-12-15-29-63(54)70-64)44-31-34-51-48-22-8-10-24-50(48)56-38-46(32-35-52(56)47-21-7-9-23-49(47)55(51)37-44)69-60-28-14-16-30-65(60)71-66-40-57-53-25-11-13-27-59(53)68(61(57)41-62(66)69)43-19-5-2-6-20-43;1-3-17-42(18-4-1)67(45-33-36-65-57(39-45)53-25-11-15-29-63(53)70-65)44-31-34-51-48-22-8-10-24-50(48)56-38-46(32-35-52(56)47-21-7-9-23-49(47)55(51)37-44)69-60-28-14-13-27-59(60)68(43-19-5-2-6-20-43)61-40-58-54-26-12-16-30-64(54)71-66(58)41-62(61)69/h5-46H,1-4H3;3-45H,1-2H3;3-44H,1-2H3;5-42H,1-4H3;2*1-41H/b;;;;2*51-48-,52-47-,55-49-,56-50-.
What are the key properties of 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine?
20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine has a molecular weight of 5896.42 g/mol, XLogP of 125.47, 33 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;10-[20-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]phenoxazine;20-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-naphthalen-2-yl-N,3,15-triphenyl-20-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaen-8-amine;N-phenyl-N-[10-(10-phenyl-21-thia-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzofuran-2-amine;N-phenyl-N-[10-(21-phenyl-10-thia-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]dibenzothiophen-2-amine is sourced from PubChem (CID 161094354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).