About 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine
15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine (PubChem CID 157106112) has the molecular formula C211H156B4N8O8Si
and a molecular weight of 3002.95 g/mol. Its IUPAC name is 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine.
Frequently Asked Questions
What is the IUPAC name of 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
The IUPAC name of 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine (CID 157106112) is 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine.
What is the SMILES notation for 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
The canonical SMILES for 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine is CC(C)(C)c1cc2c3c(c1)Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.CC(C)c1cc2c3c(c1)Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.C[Si](C)(C)c1cc2c3c(c1)Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc2c3c(c1)Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.
What is the InChIKey of 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
The InChIKey is AGHXJDFJQKRURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41BN2O2.C53H41BN2O2Si.C53H39BN2O2.C51H35BN2O2/c1-54(2,3)36-32-47-53-48(33-36)59-50-35-46(57(39-24-12-6-13-25-39)40-26-14-7-15-27-40)42-29-17-19-31-44(42)52(50)55(53)51-43-30-18-16-28-41(43)45(34-49(51)58-47)56(37-20-8-4-9-21-37)38-22-10-5-11-23-38;1-59(2,3)40-32-47-53-48(33-40)58-50-35-46(56(38-24-12-6-13-25-38)39-26-14-7-15-27-39)42-29-17-19-31-44(42)52(50)54(53)51-43-30-18-16-28-41(43)45(34-49(51)57-47)55(36-20-8-4-9-21-36)37-22-10-5-11-23-37;1-35(2)36-31-47-53-48(32-36)58-50-34-46(56(39-23-11-5-12-24-39)40-25-13-6-14-26-40)42-28-16-18-30-44(42)52(50)54(53)51-43-29-17-15-27-41(43)45(33-49(51)57-47)55(37-19-7-3-8-20-37)38-21-9-4-10-22-38;1-34-30-45-51-46(31-34)56-48-33-44(54(37-22-10-4-11-23-37)38-24-12-5-13-25-38)40-27-15-17-29-42(40)50(48)52(51)49-41-28-16-14-26-39(41)43(32-47(49)55-45)53(35-18-6-2-7-19-35)36-20-8-3-9-21-36/h2*4-35H,1-3H3;3-35H,1-2H3;2-33H,1H3.
What are the key properties of 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine has a molecular weight of 3002.95 g/mol, XLogP of 49.92, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine is sourced from PubChem (CID 157106112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).