18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene

C310H200B8N20O6S2Se2 — CID 164949114

IUPAC18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
SMILESCC1(C)C2=C(c3ccccc31)N(c1ccccc1)c1cc(Oc3ccccc3)cc3c1B2c1cc2c(cc1N3c1ccccc1)N(c1ccccc1)c1cc(Oc3ccccc3)cc3c1B2C1=C(c2ccccc2C1(C)C)N3c1ccccc1.c1ccc(N2c3cc4c(cc3B3c5[se]c6ccccc6c5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3[se]c5ccccc5c3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5sc6ccccc6c5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3sc5ccccc5c3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(Oc2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(Oc3ccccc3)cc3c2B4c2oc4ccccc4c2N3c2ccccc2)cc1
InChIInChI=1S/C82H50B2N6S2.C82H50B2N6Se2.C76H56B2N4O2.C70H44B2N4O4/c2*1-5-25-51(26-6-1)85-69-50-70-64(49-63(69)83-77-71(85)45-55(87-65-39-19-13-33-57(65)58-34-14-20-40-66(58)87)47-73(77)89(53-29-9-3-10-30-53)79-61-37-17-23-43-75(61)91-81(79)83)84-78-72(86(70)52-27-7-2-8-28-52)46-56(88-67-41-21-15-35-59(67)60-36-16-22-42-68(60)88)48-74(78)90(54-31-11-4-12-32-54)80-62-38-18-24-44-76(62)92-82(80)84;1-75(2)59-41-25-23-39-57(59)71-73(75)77-61-47-62-64(48-63(61)79(49-27-11-5-12-28-49)65-43-55(83-53-35-19-9-20-36-53)45-67(69(65)77)81(71)51-31-15-7-16-32-51)80(50-29-13-6-14-30-50)66-44-56(84-54-37-21-10-22-38-54)46-68-70(66)78(62)74-72(82(68)52-33-17-8-18-34-52)58-40-24-26-42-60(58)76(74,3)4;1-7-23-45(24-8-1)73-57-44-58-56(43-55(57)71-65-59(73)39-51(77-49-31-15-5-16-32-49)41-61(65)75(47-27-11-3-12-28-47)67-53-35-19-21-37-63(53)79-69(67)71)72-66-60(74(58)46-25-9-2-10-26-46)40-52(78-50-33-17-6-18-34-50)42-62(66)76(48-29-13-4-14-30-48)68-54-36-20-22-38-64(54)80-70(68)72/h2*1-50H;5-48H,1-4H3;1-44H
InChIKeyAHAGAHZHINZAAS-UHFFFAOYSA-N
MW4609.69 g/mol
LogP66.71
Rot. Bonds28

About 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene

18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene (PubChem CID 164949114) has the molecular formula C310H200B8N20O6S2Se2 and a molecular weight of 4609.69 g/mol. Its IUPAC name is 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene.

Molecular Properties

Compound Name18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
PubChem CID164949114
Molecular FormulaC310H200B8N20O6S2Se2
Molecular Weight4609.69 g/mol
Exact Mass4609.45
IUPAC Name18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
SMILESCC1(C)C2=C(c3ccccc31)N(c1ccccc1)c1cc(Oc3ccccc3)cc3c1B2c1cc2c(cc1N3c1ccccc1)N(c1ccccc1)c1cc(Oc3ccccc3)cc3c1B2C1=C(c2ccccc2C1(C)C)N3c1ccccc1.c1ccc(N2c3cc4c(cc3B3c5[se]c6ccccc6c5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3[se]c5ccccc5c3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5sc6ccccc6c5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3sc5ccccc5c3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(Oc2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(Oc3ccccc3)cc3c2B4c2oc4ccccc4c2N3c2ccccc2)cc1
InChIInChI=1S/C82H50B2N6S2.C82H50B2N6Se2.C76H56B2N4O2.C70H44B2N4O4/c2*1-5-25-51(26-6-1)85-69-50-70-64(49-63(69)83-77-71(85)45-55(87-65-39-19-13-33-57(65)58-34-14-20-40-66(58)87)47-73(77)89(53-29-9-3-10-30-53)79-61-37-17-23-43-75(61)91-81(79)83)84-78-72(86(70)52-27-7-2-8-28-52)46-56(88-67-41-21-15-35-59(67)60-36-16-22-42-68(60)88)48-74(78)90(54-31-11-4-12-32-54)80-62-38-18-24-44-76(62)92-82(80)84;1-75(2)59-41-25-23-39-57(59)71-73(75)77-61-47-62-64(48-63(61)79(49-27-11-5-12-28-49)65-43-55(83-53-35-19-9-20-36-53)45-67(69(65)77)81(71)51-31-15-7-16-32-51)80(50-29-13-6-14-30-50)66-44-56(84-54-37-21-10-22-38-54)46-68-70(66)78(62)74-72(82(68)52-33-17-8-18-34-52)58-40-24-26-42-60(58)76(74,3)4;1-7-23-45(24-8-1)73-57-44-58-56(43-55(57)71-65-59(73)39-51(77-49-31-15-5-16-32-49)41-61(65)75(47-27-11-3-12-28-47)67-53-35-19-21-37-63(53)79-69(67)71)72-66-60(74(58)46-25-9-2-10-26-46)40-52(78-50-33-17-6-18-34-50)42-62(66)76(48-29-13-4-14-30-48)68-54-36-20-22-38-64(54)80-70(68)72/h2*1-50H;5-48H,1-4H3;1-44H
InChIKeyAHAGAHZHINZAAS-UHFFFAOYSA-N
XLogP66.71
TPSA134.76 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004609.69
LogP ≤ 566.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene with MolForge

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Related Compounds

18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine
CID 165038377
18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine
CID 165065741
7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 164791822
22,22-dimethyl-5,14-diphenyl-8-(3-phenylphenyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5,14-diphenyl-8-(3-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;14-(3,5-diphenylphenyl)-N,N,8-triphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16,18,20-decaen-5-amine;16-oxa-8,25-diaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.010,15.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),10,12,14,19,21,23,26,28,30,32(36),33-hexadecaene
CID 165027789
18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine
CID 164735514
15,21,25,31-tetrakis(4-tert-butylphenyl)-39,39-dimethyl-7-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 162423773
18,28-bis(9,9-dimethylacridin-10-yl)-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 164791816
3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene
CID 158054130
15,24,28,32,36,45-hexakis-phenyl-7,53-diselena-15,24,28,32,36,45-hexaza-1,5-diborapentadecacyclo[31.21.1.15,16.02,31.04,29.06,14.08,13.017,25.018,23.035,43.037,42.044,55.046,54.047,52.027,56]hexapentaconta-2(31),3,6(14),8,10,12,16,18,20,22,25,27(56),29,33(55),34,37,39,41,43,46(54),47,49,51-tricosaene
CID 164791826
15,18,21,25,28,31-hexakis-phenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 164791896
18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene
CID 164735592
18,28-di(phenothiazin-10-yl)-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 164791926

Frequently Asked Questions

What is the IUPAC name of 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene?
The IUPAC name of 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene (CID 164949114) is 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene.
What is the SMILES notation for 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene?
The canonical SMILES for 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene is CC1(C)C2=C(c3ccccc31)N(c1ccccc1)c1cc(Oc3ccccc3)cc3c1B2c1cc2c(cc1N3c1ccccc1)N(c1ccccc1)c1cc(Oc3ccccc3)cc3c1B2C1=C(c2ccccc2C1(C)C)N3c1ccccc1.c1ccc(N2c3cc4c(cc3B3c5[se]c6ccccc6c5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3[se]c5ccccc5c3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5sc6ccccc6c5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3sc5ccccc5c3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(Oc2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(Oc3ccccc3)cc3c2B4c2oc4ccccc4c2N3c2ccccc2)cc1.
What is the InChIKey of 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene?
The InChIKey is AHAGAHZHINZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50B2N6S2.C82H50B2N6Se2.C76H56B2N4O2.C70H44B2N4O4/c2*1-5-25-51(26-6-1)85-69-50-70-64(49-63(69)83-77-71(85)45-55(87-65-39-19-13-33-57(65)58-34-14-20-40-66(58)87)47-73(77)89(53-29-9-3-10-30-53)79-61-37-17-23-43-75(61)91-81(79)83)84-78-72(86(70)52-27-7-2-8-28-52)46-56(88-67-41-21-15-35-59(67)60-36-16-22-42-68(60)88)48-74(78)90(54-31-11-4-12-32-54)80-62-38-18-24-44-76(62)92-82(80)84;1-75(2)59-41-25-23-39-57(59)71-73(75)77-61-47-62-64(48-63(61)79(49-27-11-5-12-28-49)65-43-55(83-53-35-19-9-20-36-53)45-67(69(65)77)81(71)51-31-15-7-16-32-51)80(50-29-13-6-14-30-50)66-44-56(84-54-37-21-10-22-38-54)46-68-70(66)78(62)74-72(82(68)52-33-17-8-18-34-52)58-40-24-26-42-60(58)76(74,3)4;1-7-23-45(24-8-1)73-57-44-58-56(43-55(57)71-65-59(73)39-51(77-49-31-15-5-16-32-49)41-61(65)75(47-27-11-3-12-28-47)67-53-35-19-21-37-63(53)79-69(67)71)72-66-60(74(58)46-25-9-2-10-26-46)40-52(78-50-33-17-6-18-34-50)42-62(66)76(48-29-13-4-14-30-48)68-54-36-20-22-38-64(54)80-70(68)72/h2*1-50H;5-48H,1-4H3;1-44H.
What are the key properties of 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene?
18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene has a molecular weight of 4609.69 g/mol, XLogP of 66.71, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-diselena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-di(carbazol-9-yl)-15,21,25,31-tetraphenyl-7,39-dithia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;18,28-diphenoxy-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene;7,7,39,39-tetramethyl-18,28-diphenoxy-15,21,25,31-tetraphenyl-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene is sourced from PubChem (CID 164949114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).