8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene

C249H163Al4Ga6N17O12 — CID 163871644

IUPAC8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
SMILESCC(C)(C)c1cc2c3c(c1)Oc1nc4c(cc1[Ga]3c1ccccc1O2)Oc1cc(C(C)(C)C)cc2c1[Ga]4c1ccccc1O2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2nc5c(cc2[Al]4c2ccccc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2[Al]5c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3cc4c(nc3[Ga]3c5ccccc5Oc5cccc2c53)Oc2cccc3c2[Ga]4c2ccccc2O3)cc1.c1ccc(N2c3ccccc3[Al]3c4nc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)[Al]2c3ccccc3N(c3ccccc3)c3cc(-n4c6ccccc6c6ccccc64)cc(c32)N5c2ccccc2)cc1.c1ccc2c(c1)Oc1cccc3c1[Ga]2c1cc2c(nc1O3)[Ga]1c3ccccc3Oc3cccc(c31)O2
InChIInChI=1S/C77H53N7.C71H44N6O.C37H31NO4.C35H20N2O3.C29H15NO4.4Al.6Ga/c1-11-31-60(32-12-1)79(61-33-13-2-14-34-61)71-53-72(80(62-35-15-3-16-36-62)63-37-17-4-18-38-63)56-75(55-71)83(68-47-27-9-28-48-68)70-51-52-77(78-59-70)84(69-49-29-10-30-50-69)76-57-73(81(64-39-19-5-20-40-64)65-41-21-6-22-42-65)54-74(58-76)82(66-43-23-7-24-44-66)67-45-25-8-26-46-67;1-6-24-51(25-7-1)73(52-26-8-2-9-27-52)56-44-57(46-58(45-56)76-67-38-20-16-34-63(67)64-35-17-21-39-68(64)76)75(55-32-14-5-15-33-55)71-43-42-61(50-72-71)78-62-48-59(74(53-28-10-3-11-29-53)54-30-12-4-13-31-54)47-60(49-62)77-69-40-22-18-36-65(69)66-37-19-23-41-70(66)77;1-36(2,3)26-19-31(39-28-13-9-7-10-14-28)23-33(21-26)41-30-17-18-35(38-25-30)42-34-22-27(37(4,5)6)20-32(24-34)40-29-15-11-8-12-16-29;1-4-12-27(13-5-1)37(28-14-10-19-32(24-28)38-30-15-6-2-7-16-30)29-22-23-35(36-26-29)40-34-21-11-20-33(25-34)39-31-17-8-3-9-18-31;1-3-9-22(10-4-1)31-24-13-7-15-26(19-24)33-28-17-18-29(30-21-28)34-27-16-8-14-25(20-27)32-23-11-5-2-6-12-23;;;;;;;;;;/h1-37,39-45,47-51,53-55,57H;1-26,28-30,32-42,45-47,49H;7-13,15,17,19-22H,1-6H3;1-15,17,19-22H;1-9,11,13-17H;;;;;;;;;;
InChIKeyPLIIANIBLMXKJM-UHFFFAOYSA-N
MW4111.42 g/mol
LogP41.83
Rot. Bonds16

About 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene

8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene (PubChem CID 163871644) has the molecular formula C249H163Al4Ga6N17O12 and a molecular weight of 4111.42 g/mol. Its IUPAC name is 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene.

Molecular Properties

Compound Name8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
PubChem CID163871644
Molecular FormulaC249H163Al4Ga6N17O12
Molecular Weight4111.42 g/mol
Exact Mass4103.75
IUPAC Name8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
SMILESCC(C)(C)c1cc2c3c(c1)Oc1nc4c(cc1[Ga]3c1ccccc1O2)Oc1cc(C(C)(C)C)cc2c1[Ga]4c1ccccc1O2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2nc5c(cc2[Al]4c2ccccc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2[Al]5c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3cc4c(nc3[Ga]3c5ccccc5Oc5cccc2c53)Oc2cccc3c2[Ga]4c2ccccc2O3)cc1.c1ccc(N2c3ccccc3[Al]3c4nc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)[Al]2c3ccccc3N(c3ccccc3)c3cc(-n4c6ccccc6c6ccccc64)cc(c32)N5c2ccccc2)cc1.c1ccc2c(c1)Oc1cccc3c1[Ga]2c1cc2c(nc1O3)[Ga]1c3ccccc3Oc3cccc(c31)O2
InChIInChI=1S/C77H53N7.C71H44N6O.C37H31NO4.C35H20N2O3.C29H15NO4.4Al.6Ga/c1-11-31-60(32-12-1)79(61-33-13-2-14-34-61)71-53-72(80(62-35-15-3-16-36-62)63-37-17-4-18-38-63)56-75(55-71)83(68-47-27-9-28-48-68)70-51-52-77(78-59-70)84(69-49-29-10-30-50-69)76-57-73(81(64-39-19-5-20-40-64)65-41-21-6-22-42-65)54-74(58-76)82(66-43-23-7-24-44-66)67-45-25-8-26-46-67;1-6-24-51(25-7-1)73(52-26-8-2-9-27-52)56-44-57(46-58(45-56)76-67-38-20-16-34-63(67)64-35-17-21-39-68(64)76)75(55-32-14-5-15-33-55)71-43-42-61(50-72-71)78-62-48-59(74(53-28-10-3-11-29-53)54-30-12-4-13-31-54)47-60(49-62)77-69-40-22-18-36-65(69)66-37-19-23-41-70(66)77;1-36(2,3)26-19-31(39-28-13-9-7-10-14-28)23-33(21-26)41-30-17-18-35(38-25-30)42-34-22-27(37(4,5)6)20-32(24-34)40-29-15-11-8-12-16-29;1-4-12-27(13-5-1)37(28-14-10-19-32(24-28)38-30-15-6-2-7-16-30)29-22-23-35(36-26-29)40-34-21-11-20-33(25-34)39-31-17-8-3-9-18-31;1-3-9-22(10-4-1)31-24-13-7-15-26(19-24)33-28-17-18-29(30-21-28)34-27-16-8-14-25(20-27)32-23-11-5-2-6-12-23;;;;;;;;;;/h1-37,39-45,47-51,53-55,57H;1-26,28-30,32-42,45-47,49H;7-13,15,17,19-22H,1-6H3;1-15,17,19-22H;1-9,11,13-17H;;;;;;;;;;
InChIKeyPLIIANIBLMXKJM-UHFFFAOYSA-N
XLogP41.83
TPSA217.47 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004111.42
LogP ≤ 541.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene with MolForge

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Related Compounds

5,27-dioxa-3,11,33-triaza-1,23-digallatridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2,4(24),6,8,10(48),12,14,16,18(47),19,21,25,28,30,32(45),34,36,38,40(46),41,43-henicosaene
CID 163584427
5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-dialuminaundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6(42),7,9,12,14,16,19,23,25,27(40),29,31,33,35(41),36,38-octadecaene
CID 163655899
25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
CID 156680711
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 158854715
15,25-ditert-butyl-N,N,12,28-tetraphenyl-18,22-dioxa-12,20,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaen-9-amine
CID 156680664
15-carbazol-9-yl-N,N,28-triphenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaen-25-amine
CID 161253766
30-tert-butyl-N,N,23,27-tetraphenyl-17,23,25,27,33-pentaza-1,5-diboratridecacyclo[26.16.1.15,18.16,10.133,40.02,26.04,24.011,16.032,45.034,39.017,48.022,47.044,46]octatetraconta-2,4(24),6(48),7,9,11,13,15,18(47),19,21,25,28,30,32(45),34,36,38,40,42,44(46)-henicosaen-20-amine
CID 156680659
18,32-di(carbazol-9-yl)-15,25,35-triphenyl-21,29-dioxa-15,25,35-triaza-1,8-diboraundecacyclo[28.11.1.18,16.02,28.04,26.05,24.07,22.09,14.034,42.036,41.020,43]tritetraconta-2,4(26),5(24),6,9,11,13,16(43),17,19,22,27,30,32,34(42),36,38,40-octadecaene;18-N,18-N,32-N,32-N,15,25,35-heptakis-phenyl-21,29-dioxa-15,25,35-triaza-1,8-diboraundecacyclo[28.11.1.18,16.02,28.04,26.05,24.07,22.09,14.034,42.036,41.020,43]tritetraconta-2,4(26),5(24),6,9,11,13,16(43),17,19,22,27,30,32,34(42),36,38,40-octadecaene-18,32-diamine;23-N,23-N,37-N,37-N,30-pentakis-phenyl-26,34-dioxa-20,30,40-triaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine;30-phenyl-26,34-dioxa-20,30,40-triaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene
CID 159638078
25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 161253765
9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
CID 165046420
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371

Frequently Asked Questions

What is the IUPAC name of 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?
The IUPAC name of 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene (CID 163871644) is 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene.
What is the SMILES notation for 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?
The canonical SMILES for 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene is CC(C)(C)c1cc2c3c(c1)Oc1nc4c(cc1[Ga]3c1ccccc1O2)Oc1cc(C(C)(C)C)cc2c1[Ga]4c1ccccc1O2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2nc5c(cc2[Al]4c2ccccc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2[Al]5c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3cc4c(nc3[Ga]3c5ccccc5Oc5cccc2c53)Oc2cccc3c2[Ga]4c2ccccc2O3)cc1.c1ccc(N2c3ccccc3[Al]3c4nc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)[Al]2c3ccccc3N(c3ccccc3)c3cc(-n4c6ccccc6c6ccccc64)cc(c32)N5c2ccccc2)cc1.c1ccc2c(c1)Oc1cccc3c1[Ga]2c1cc2c(nc1O3)[Ga]1c3ccccc3Oc3cccc(c31)O2.
What is the InChIKey of 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?
The InChIKey is PLIIANIBLMXKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H53N7.C71H44N6O.C37H31NO4.C35H20N2O3.C29H15NO4.4Al.6Ga/c1-11-31-60(32-12-1)79(61-33-13-2-14-34-61)71-53-72(80(62-35-15-3-16-36-62)63-37-17-4-18-38-63)56-75(55-71)83(68-47-27-9-28-48-68)70-51-52-77(78-59-70)84(69-49-29-10-30-50-69)76-57-73(81(64-39-19-5-20-40-64)65-41-21-6-22-42-65)54-74(58-76)82(66-43-23-7-24-44-66)67-45-25-8-26-46-67;1-6-24-51(25-7-1)73(52-26-8-2-9-27-52)56-44-57(46-58(45-56)76-67-38-20-16-34-63(67)64-35-17-21-39-68(64)76)75(55-32-14-5-15-33-55)71-43-42-61(50-72-71)78-62-48-59(74(53-28-10-3-11-29-53)54-30-12-4-13-31-54)47-60(49-62)77-69-40-22-18-36-65(69)66-37-19-23-41-70(66)77;1-36(2,3)26-19-31(39-28-13-9-7-10-14-28)23-33(21-26)41-30-17-18-35(38-25-30)42-34-22-27(37(4,5)6)20-32(24-34)40-29-15-11-8-12-16-29;1-4-12-27(13-5-1)37(28-14-10-19-32(24-28)38-30-15-6-2-7-16-30)29-22-23-35(36-26-29)40-34-21-11-20-33(25-34)39-31-17-8-3-9-18-31;1-3-9-22(10-4-1)31-24-13-7-15-26(19-24)33-28-17-18-29(30-21-28)34-27-16-8-14-25(20-27)32-23-11-5-2-6-12-23;;;;;;;;;;/h1-37,39-45,47-51,53-55,57H;1-26,28-30,32-42,45-47,49H;7-13,15,17,19-22H,1-6H3;1-15,17,19-22H;1-9,11,13-17H;;;;;;;;;;.
What are the key properties of 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?
8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene has a molecular weight of 4111.42 g/mol, XLogP of 41.83, 16 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8,25-ditert-butyl-5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8,25-di(carbazol-9-yl)-5,11,28-triphenyl-22-oxa-3,5,11,28-tetraza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-3,5,11,22,28-pentaza-1,18-dialuminanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene-8,25-diamine;22-phenyl-5,11,28-trioxa-3,22-diaza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23(35),24,26,29,31,33-pentadecaene;5,11,22,28-tetraoxa-3-aza-1,18-digallanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene is sourced from PubChem (CID 163871644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).