About 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole
9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole (PubChem CID 158122040) has the molecular formula C442H428N18O20
and a molecular weight of 6312.39 g/mol. Its IUPAC name is 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole.
Frequently Asked Questions
What is the IUPAC name of 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole?
The IUPAC name of 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole (CID 158122040) is 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole.
What is the SMILES notation for 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole?
The canonical SMILES for 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole is CC(C)(C)c1c2oc3cc4cc(-n5c6ccccc6c6ccccc65)ccc4cc3c2cc2oc3cc4cc(-n5c6ccccc6c6ccccc65)ccc4cc3c12.CC(C)(C)c1c2oc3cc4cc(N5CCCCC5)ccc4cc3c2cc2oc3cc4cc(N5CCCCC5)ccc4cc3c12.CC(C)(C)c1c2oc3cc4cc(N5CCOCC5)ccc4cc3c2cc2oc3cc4cc(N5CCOCC5)ccc4cc3c12.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3cc12.CC(C)C1CCN(c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N5CCC(C(C)C)CC5)ccc4cc23)CC1.CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(-n4c5ccc(C(C)C)cc5c5cc(C(C)C)ccc54)ccc3cc12.CC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N5CC(C)CC(C)C5)ccc4cc23)C1.CC1CCCCN1c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(N4CCCCC4C)ccc3cc12.CC1CCN(c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N5CCC(C)CC5)ccc4cc23)CC1.
What is the InChIKey of 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole?
The InChIKey is FRSKKMBEBCBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H68N2O2.C66H60N2O2.C54H36N2O2.C46H52N2O2.C44H48N2O2.2C42H44N2O2.C40H40N2O2.C38H36N2O4/c1-66(2,3)43-18-24-56-49(34-43)50-35-44(67(4,5)6)19-25-57(50)71(56)47-22-16-39-30-53-54-38-62-63(64(70(13,14)15)65(54)74-60(53)32-41(39)28-47)55-31-40-17-23-48(29-42(40)33-61(55)73-62)72-58-26-20-45(68(7,8)9)36-51(58)52-37-46(69(10,11)12)21-27-59(52)72;1-35(2)39-14-20-56-49(26-39)50-27-40(36(3)4)15-21-57(50)67(56)47-18-12-43-30-53-54-34-62-63(64(66(9,10)11)65(54)70-60(53)32-45(43)24-47)55-31-44-13-19-48(25-46(44)33-61(55)69-62)68-58-22-16-41(37(5)6)28-51(58)52-29-42(38(7)8)17-23-59(52)68;1-54(2,3)52-51-43-27-32-21-23-36(56-46-18-10-6-14-39(46)40-15-7-11-19-47(40)56)25-34(32)29-49(43)57-50(51)30-42-41-26-31-20-22-35(24-33(31)28-48(41)58-53(42)52)55-44-16-8-4-12-37(44)38-13-5-9-17-45(38)55;1-27(2)29-12-16-47(17-13-29)35-10-8-31-22-37-38-26-42-43(44(46(5,6)7)45(38)50-40(37)24-33(31)20-35)39-23-32-9-11-36(21-34(32)25-41(39)49-42)48-18-14-30(15-19-48)28(3)4;1-25-12-26(2)22-45(21-25)33-10-8-29-16-35-36-20-40-41(42(44(5,6)7)43(36)48-38(35)18-31(29)14-33)37-17-30-9-11-34(15-32(30)19-39(37)47-40)46-23-27(3)13-28(4)24-46;1-25-10-14-43(15-11-25)31-8-6-27-20-33-34-24-38-39(40(42(3,4)5)41(34)46-36(33)22-29(27)18-31)35-21-28-7-9-32(19-30(28)23-37(35)45-38)44-16-12-26(2)13-17-44;1-25-10-6-8-16-43(25)31-14-12-27-20-33-34-24-38-39(40(42(3,4)5)41(34)46-36(33)22-29(27)18-31)35-21-28-13-15-32(19-30(28)23-37(35)45-38)44-17-9-7-11-26(44)2;1-40(2,3)38-37-33-21-26-11-13-30(42-16-8-5-9-17-42)19-28(26)23-35(33)43-36(37)24-32-31-20-25-10-12-29(41-14-6-4-7-15-41)18-27(25)22-34(31)44-39(32)38;1-38(2,3)36-35-31-19-24-5-7-28(40-10-14-42-15-11-40)17-26(24)21-33(31)43-34(35)22-30-29-18-23-4-6-27(39-8-12-41-13-9-39)16-25(23)20-32(29)44-37(30)36/h16-38H,1-15H3;12-38H,1-11H3;4-30H,1-3H3;8-11,20-30H,12-19H2,1-7H3;8-11,14-20,25-28H,12-13,21-24H2,1-7H3;6-9,18-26H,10-17H2,1-5H3;12-15,18-26H,6-11,16-17H2,1-5H3;10-13,18-24H,4-9,14-17H2,1-3H3;4-7,16-22H,8-15H2,1-3H3.
What are the key properties of 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole?
9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole has a molecular weight of 6312.39 g/mol, XLogP of 123.66, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole is sourced from PubChem (CID 158122040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).