16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine

C355H236B10N24O12S6+2 — CID 158133284

About 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine

16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine (PubChem CID 158133284) has the molecular formula C355H236B10N24O12S6+2 and a molecular weight of 5330.47 g/mol. Its IUPAC name is 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine.

Molecular Properties

• Compound Name: 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine
• PubChem CID: 158133284
• Molecular Formula: C355H236B10N24O12S6+2
• Molecular Weight: 5330.47 g/mol
• Exact Mass: 5327.78
• IUPAC Name: 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine
• SMILES: CC(C)c1c2c(cc3c1Oc1cc(N(c4ccccc4)c4ccccc4)cc4c1B3Sc1ccccc1N4c1ccccc1)B1Sc3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c31)O2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2OB4c2cc4c([n+](-c5ccccc5)c2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4Oc2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2SB4c2cc4c([n+](-c5ccccc5)c2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4Sc2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3OB3c4cc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2B5Oc2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3SB3c4cc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2B5Sc2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C72H45B2N5O3.C72H45B2N5OS2.C71H48B2N5O4.C71H48B2N5O2S2.C69H50B2N4O2S2/c1-4-22-46(23-5-1)75-61-36-18-20-38-67(61)81-73-55-44-56-69(45-63(55)77(48-26-8-3-9-27-48)65-41-49(40-64(75)71(65)73)78-57-32-14-10-28-51(57)52-29-11-15-33-58(52)78)80-70-43-50(79-59-34-16-12-30-53(59)54-31-13-17-35-60(54)79)42-66-72(70)74(56)82-68-39-21-19-37-62(68)76(66)47-24-6-2-7-25-47;1-4-22-46(23-5-1)75-61-36-18-20-38-69(61)81-73-55-44-56-67(45-63(55)77(48-26-8-3-9-27-48)65-41-49(40-64(75)71(65)73)78-57-32-14-10-28-51(57)52-29-11-15-33-58(52)78)80-68-43-50(79-59-34-16-12-30-53(59)54-31-13-17-35-60(54)79)42-66-72(68)74(56)82-70-39-21-19-37-62(70)76(66)47-24-6-2-7-25-47;1-8-26-49(27-9-1)74(50-28-10-2-11-29-50)56-44-62-68-66(46-56)79-70-58(72(68)81-64-42-24-22-40-60(64)76(62)53-34-16-5-17-35-53)48-59-71(78(70)55-38-20-7-21-39-55)80-67-47-57(75(51-30-12-3-13-31-51)52-32-14-4-15-33-52)45-63-69(67)73(59)82-65-43-25-23-41-61(65)77(63)54-36-18-6-19-37-54;1-8-26-49(27-9-1)74(50-28-10-2-11-29-50)56-44-62-68-64(46-56)79-70-58(72(68)81-66-42-24-22-40-60(66)76(62)53-34-16-5-17-35-53)48-59-71(78(70)55-38-20-7-21-39-55)80-65-47-57(75(51-30-12-3-13-31-51)52-32-14-4-15-33-52)45-63-69(65)73(59)82-67-43-25-23-41-61(67)77(63)54-36-18-6-19-37-54;1-46(2)65-68-55(70-66-59(74(51-33-17-7-18-34-51)57-37-21-23-39-63(57)78-70)41-53(43-61(66)76-68)72(47-25-9-3-10-26-47)48-27-11-4-12-28-48)45-56-69(65)77-62-44-54(73(49-29-13-5-14-30-49)50-31-15-6-16-32-50)42-60-67(62)71(56)79-64-40-24-22-38-58(64)75(60)52-35-19-8-20-36-52/h2*1-45H;2*1-48H;3-46H,1-2H3/q;;2*+1
• InChIKey: FSZGAOSVBFCEAE-UHFFFAOYSA-N
• XLogP: 81.69
• TPSA: 196.56 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 407
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5330.47
LogP ≤ 5	81.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine?

The IUPAC name of 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine (CID 158133284) is 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine.

What is the SMILES notation for 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine?

The canonical SMILES for 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine is CC(C)c1c2c(cc3c1Oc1cc(N(c4ccccc4)c4ccccc4)cc4c1B3Sc1ccccc1N4c1ccccc1)B1Sc3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c31)O2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2OB4c2cc4c([n+](-c5ccccc5)c2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4Oc2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2SB4c2cc4c([n+](-c5ccccc5)c2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4Sc2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3OB3c4cc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2B5Oc2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3SB3c4cc5c(cc4Oc4cc(-n6c7ccccc7c7ccccc76)cc2c43)N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2B5Sc2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine?

The InChIKey is FSZGAOSVBFCEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45B2N5O3.C72H45B2N5OS2.C71H48B2N5O4.C71H48B2N5O2S2.C69H50B2N4O2S2/c1-4-22-46(23-5-1)75-61-36-18-20-38-67(61)81-73-55-44-56-69(45-63(55)77(48-26-8-3-9-27-48)65-41-49(40-64(75)71(65)73)78-57-32-14-10-28-51(57)52-29-11-15-33-58(52)78)80-70-43-50(79-59-34-16-12-30-53(59)54-31-13-17-35-60(54)79)42-66-72(70)74(56)82-68-39-21-19-37-62(68)76(66)47-24-6-2-7-25-47;1-4-22-46(23-5-1)75-61-36-18-20-38-69(61)81-73-55-44-56-67(45-63(55)77(48-26-8-3-9-27-48)65-41-49(40-64(75)71(65)73)78-57-32-14-10-28-51(57)52-29-11-15-33-58(52)78)80-68-43-50(79-59-34-16-12-30-53(59)54-31-13-17-35-60(54)79)42-66-72(68)74(56)82-70-39-21-19-37-62(70)76(66)47-24-6-2-7-25-47;1-8-26-49(27-9-1)74(50-28-10-2-11-29-50)56-44-62-68-66(46-56)79-70-58(72(68)81-64-42-24-22-40-60(64)76(62)53-34-16-5-17-35-53)48-59-71(78(70)55-38-20-7-21-39-55)80-67-47-57(75(51-30-12-3-13-31-51)52-32-14-4-15-33-52)45-63-69(67)73(59)82-65-43-25-23-41-61(65)77(63)54-36-18-6-19-37-54;1-8-26-49(27-9-1)74(50-28-10-2-11-29-50)56-44-62-68-64(46-56)79-70-58(72(68)81-66-42-24-22-40-60(66)76(62)53-34-16-5-17-35-53)48-59-71(78(70)55-38-20-7-21-39-55)80-65-47-57(75(51-30-12-3-13-31-51)52-32-14-4-15-33-52)45-63-69(65)73(59)82-67-43-25-23-41-61(67)77(63)54-36-18-6-19-37-54;1-46(2)65-68-55(70-66-59(74(51-33-17-7-18-34-51)57-37-21-23-39-63(57)78-70)41-53(43-61(66)76-68)72(47-25-9-3-10-26-47)48-27-11-4-12-28-48)45-56-69(65)77-62-44-54(73(49-29-13-5-14-30-49)50-31-15-6-16-32-50)42-60-67(62)71(56)79-64-40-24-22-38-58(64)75(60)52-35-19-8-20-36-52/h2*1-45H;2*1-48H;3-46H,1-2H3/q;;2*+1;.

What are the key properties of 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine?

16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine has a molecular weight of 5330.47 g/mol, XLogP of 81.69, 37 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 16,26-di(carbazol-9-yl)-13,23,29-triphenyl-19-oxa-6,36-dithia-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16,26-di(carbazol-9-yl)-13,23,29-triphenyl-6,19,36-trioxa-13,23,29-triaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2,4(20),7,9,11,14(38),15,17,21,24,26,28(37),30,32,34-pentadecaene;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-19,23-dioxa-6,36-dithia-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,21,29-heptakis-phenyl-6,19,23,36-tetraoxa-13,29-diaza-21-azonia-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine;16-N,16-N,26-N,26-N,13,29-hexakis-phenyl-21-propan-2-yl-19,23-dioxa-6,36-dithia-13,29-diaza-1,5-diboranonacyclo[22.12.1.15,14.02,22.04,20.07,12.028,37.030,35.018,38]octatriaconta-2(22),3,7,9,11,14(38),15,17,20,24,26,28(37),30,32,34-pentadecaene-16,26-diamine is sourced from PubChem (CID 158133284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).