About 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine
18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine (PubChem CID 159210797) has the molecular formula C257H176F3N9O2
and a molecular weight of 3479.29 g/mol. Its IUPAC name is 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine.
Frequently Asked Questions
What is the IUPAC name of 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine?
The IUPAC name of 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine (CID 159210797) is 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine.
What is the SMILES notation for 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine?
The canonical SMILES for 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine is CC(C)(C)c1ccc2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3cc4c5cc(C(C)(C)C)ccc5c5cc6c(cc5c4cc3c2c1)c1ccccc1n6-c1ccccc1.Cc1cc2c(cc1Oc1ccccc1)c1cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc1c1cc3c4cc(C)c(Oc5ccccc5)cc4c4cc5c(cc4c3cc21)c1ccccc1n5-c1ccccc1.Cc1ccc2c(c1)c1cc3c(cc1c1ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc21)c1cc(C(F)(F)F)ccc1c1cc2c(cc31)c1ccccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc3c(cc1c1ccc(N(c4ccccc4)c4ccccc4)cc21)c1cc(C)ccc1c1cc2c(cc31)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine?
The InChIKey is KQLWBLFJTGQEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2O2.C65H43F3N2.C62H48N2.C56H35N3/c1-47-38-59-63-42-65-64(60-39-48(2)74(78-56-28-16-7-17-29-56)46-69(60)67-44-72-70(43-66(65)67)58-30-18-19-31-71(58)76(72)52-24-12-5-13-25-52)41-62(63)57-37-36-54(40-61(57)68(59)45-73(47)77-55-26-14-6-15-27-55)75(51-22-10-4-11-23-51)53-34-32-50(33-35-53)49-20-8-3-9-21-49;1-38-22-26-44-50(30-38)54-35-56-55(51-31-39(65(66,67)68)23-27-45(51)58-37-63-59(36-57(56)58)49-19-11-13-21-62(49)70(63)41-16-8-5-9-17-41)34-53(54)46-28-24-42(32-52(44)46)69(40-14-6-4-7-15-40)43-25-29-48-47-18-10-12-20-60(47)64(2,3)61(48)33-43;1-61(2,3)37-24-27-41-47(30-37)51-34-53-52(33-50(51)43-29-26-40(32-49(41)43)64-57-21-13-10-18-44(57)45-19-11-14-22-58(45)64)48-31-38(62(4,5)6)25-28-42(48)55-36-60-56(35-54(53)55)46-20-12-15-23-59(46)63(60)39-16-8-7-9-17-39;1-35-22-25-41-45(28-35)49-31-48-43-27-24-40(58(37-14-6-3-7-15-37)38-16-8-4-9-17-38)30-47(43)42-26-23-36(57-2)29-46(42)50(48)32-51(49)52-33-54-44-20-12-13-21-55(44)59(56(54)34-53(41)52)39-18-10-5-11-19-39/h3-46H,1-2H3;4-37H,1-3H3;7-36H,1-6H3;3-34H,1H3.
What are the key properties of 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine?
18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine has a molecular weight of 3479.29 g/mol, XLogP of 73.27, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 18,33-ditert-butyl-27-carbazol-9-yl-11-phenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaene;18,33-dimethyl-17,32-diphenoxy-N,11-diphenyl-N-(4-phenylphenyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1,3,5,7,9,12,14,16,18,20,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-33-methyl-N,11-diphenyl-18-(trifluoromethyl)-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine;33-isocyano-18-methyl-N,N,11-triphenyl-11-azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24(29),25,27,30(35),31,33,36-octadecaen-27-amine is sourced from PubChem (CID 159210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).