2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene

C360H204S12 — CID 158901330

IUPAC2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
SMILESc1ccc2c(c1)-c1c(-c3ccc4sc5ccccc5c4c3)cccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-2.c1ccc2c(c1)-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1c(-c3ccc4sc5ccccc5c4c3)cccc1-2.c1ccc2c(c1)-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.c1ccc2c(c1)-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2
InChIInChI=1S/6C60H34S2/c1-5-15-43-39(11-1)40-12-2-6-16-44(40)52-34-54-50-30-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)21-25-45(50)41-13-3-4-14-42(41)49-29-35(22-26-46(49)53(54)33-51(43)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59;1-4-15-42-39(12-1)40-13-2-5-16-43(40)50-34-52-48-21-11-20-38(37-26-29-59-54(32-37)47-19-8-10-23-57(47)62-59)60(48)55-31-35(36-25-28-58-53(30-36)46-18-7-9-22-56(46)61-58)24-27-45(55)41-14-3-6-17-44(41)51(52)33-49(42)50;1-4-15-42-39(12-1)40-13-2-5-16-43(40)51-34-55-52(33-50(42)51)45-27-24-35(36-25-28-58-53(31-36)46-18-7-9-22-56(46)61-58)30-49(45)44-17-6-3-14-41(44)48-21-11-20-38(60(48)55)37-26-29-59-54(32-37)47-19-8-10-23-57(47)62-59;1-3-15-41-39(13-1)40-14-2-4-16-42(40)50-34-52-48-24-12-22-38(36-28-30-58-54(32-36)44-18-8-10-26-56(44)62-58)60(48)46-20-6-5-19-45(46)59-37(21-11-23-47(59)51(52)33-49(41)50)35-27-29-57-53(31-35)43-17-7-9-25-55(43)61-57;1-3-14-41-39(12-1)40-13-2-4-15-42(40)51-34-53-47-21-11-20-38(37-26-29-59-55(32-37)46-19-8-10-23-57(46)62-59)60(47)48-27-24-35(30-49(48)43-16-5-6-17-44(43)52(53)33-50(41)51)36-25-28-58-54(31-36)45-18-7-9-22-56(45)61-58;1-3-13-41-39(11-1)40-12-2-4-14-42(40)52-34-54-46-26-22-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)30-50(46)44-16-6-5-15-43(44)49-29-35(21-25-45(49)53(54)33-51(41)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59/h6*1-34H/b45-41-,49-42-,53-46-,54-50-;45-41-,51-44-,52-48-,60-55-;48-41-,49-44-,52-45-,60-55-;51-47-,52-48-,59-45-,60-46-;49-43-,52-44-,53-47-,60-48-;49-43-,50-44-,53-45-,54-46-
InChIKeyJFMFKHNNTLGBLN-DOKJGCPOSA-N
MW4914.40 g/mol
LogP109.18
Rot. Bonds12

About 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene

2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene (PubChem CID 158901330) has the molecular formula C360H204S12 and a molecular weight of 4914.40 g/mol. Its IUPAC name is 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene.

Molecular Properties

Compound Name2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
PubChem CID158901330
Molecular FormulaC360H204S12
Molecular Weight4914.40 g/mol
Exact Mass4909.26
IUPAC Name2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
SMILESc1ccc2c(c1)-c1c(-c3ccc4sc5ccccc5c4c3)cccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-2.c1ccc2c(c1)-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1c(-c3ccc4sc5ccccc5c4c3)cccc1-2.c1ccc2c(c1)-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.c1ccc2c(c1)-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2
InChIInChI=1S/6C60H34S2/c1-5-15-43-39(11-1)40-12-2-6-16-44(40)52-34-54-50-30-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)21-25-45(50)41-13-3-4-14-42(41)49-29-35(22-26-46(49)53(54)33-51(43)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59;1-4-15-42-39(12-1)40-13-2-5-16-43(40)50-34-52-48-21-11-20-38(37-26-29-59-54(32-37)47-19-8-10-23-57(47)62-59)60(48)55-31-35(36-25-28-58-53(30-36)46-18-7-9-22-56(46)61-58)24-27-45(55)41-14-3-6-17-44(41)51(52)33-49(42)50;1-4-15-42-39(12-1)40-13-2-5-16-43(40)51-34-55-52(33-50(42)51)45-27-24-35(36-25-28-58-53(31-36)46-18-7-9-22-56(46)61-58)30-49(45)44-17-6-3-14-41(44)48-21-11-20-38(60(48)55)37-26-29-59-54(32-37)47-19-8-10-23-57(47)62-59;1-3-15-41-39(13-1)40-14-2-4-16-42(40)50-34-52-48-24-12-22-38(36-28-30-58-54(32-36)44-18-8-10-26-56(44)62-58)60(48)46-20-6-5-19-45(46)59-37(21-11-23-47(59)51(52)33-49(41)50)35-27-29-57-53(31-35)43-17-7-9-25-55(43)61-57;1-3-14-41-39(12-1)40-13-2-4-15-42(40)51-34-53-47-21-11-20-38(37-26-29-59-55(32-37)46-19-8-10-23-57(46)62-59)60(47)48-27-24-35(30-49(48)43-16-5-6-17-44(43)52(53)33-50(41)51)36-25-28-58-54(31-36)45-18-7-9-22-56(45)61-58;1-3-13-41-39(11-1)40-12-2-4-14-42(40)52-34-54-46-26-22-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)30-50(46)44-16-6-5-15-43(44)49-29-35(21-25-45(49)53(54)33-51(41)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59/h6*1-34H/b45-41-,49-42-,53-46-,54-50-;45-41-,51-44-,52-48-,60-55-;48-41-,49-44-,52-45-,60-55-;51-47-,52-48-,59-45-,60-46-;49-43-,52-44-,53-47-,60-48-;49-43-,50-44-,53-45-,54-46-
InChIKeyJFMFKHNNTLGBLN-DOKJGCPOSA-N
XLogP109.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004914.40
LogP ≤ 5109.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene with MolForge

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Related Compounds

2-(12-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428991
2-(9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428982
2-(40-tetradecacyclo[42.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,43.046,59.047,52.053,58]hexaconta-1(44),2(19),3,5,7,9,11,13,15,17,20(37),21,23,25,27,29,31,33,35,38(43),39,41,45,47,49,51,53,55,57,59-triacontaenyl)dibenzothiophene
CID 134429068
6-(4-tetraphenylen-1-ylphenyl)-[1]benzothiolo[2,3-b]pyridine;6-(4-tetraphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine;2-(4-tetraphenylen-1-ylphenyl)dibenzothiophene;2-(4-tetraphenylen-2-ylphenyl)dibenzothiophene
CID 157325985
4-(15-dibenzothiophen-4-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428975
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene
CID 138665918
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
CID 160970567
4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
CID 155102375

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene?
The IUPAC name of 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene (CID 158901330) is 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene.
What is the SMILES notation for 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene?
The canonical SMILES for 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene is c1ccc2c(c1)-c1c(-c3ccc4sc5ccccc5c4c3)cccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-2.c1ccc2c(c1)-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1c(-c3ccc4sc5ccccc5c4c3)cccc1-2.c1ccc2c(c1)-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3ccc4sc5ccccc5c4c3)c1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.c1ccc2c(c1)-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1-2.
What is the InChIKey of 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene?
The InChIKey is JFMFKHNNTLGBLN-DOKJGCPOSA-N. The full InChI is InChI=1S/6C60H34S2/c1-5-15-43-39(11-1)40-12-2-6-16-44(40)52-34-54-50-30-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)21-25-45(50)41-13-3-4-14-42(41)49-29-35(22-26-46(49)53(54)33-51(43)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59;1-4-15-42-39(12-1)40-13-2-5-16-43(40)50-34-52-48-21-11-20-38(37-26-29-59-54(32-37)47-19-8-10-23-57(47)62-59)60(48)55-31-35(36-25-28-58-53(30-36)46-18-7-9-22-56(46)61-58)24-27-45(55)41-14-3-6-17-44(41)51(52)33-49(42)50;1-4-15-42-39(12-1)40-13-2-5-16-43(40)51-34-55-52(33-50(42)51)45-27-24-35(36-25-28-58-53(31-36)46-18-7-9-22-56(46)61-58)30-49(45)44-17-6-3-14-41(44)48-21-11-20-38(60(48)55)37-26-29-59-54(32-37)47-19-8-10-23-57(47)62-59;1-3-15-41-39(13-1)40-14-2-4-16-42(40)50-34-52-48-24-12-22-38(36-28-30-58-54(32-36)44-18-8-10-26-56(44)62-58)60(48)46-20-6-5-19-45(46)59-37(21-11-23-47(59)51(52)33-49(41)50)35-27-29-57-53(31-35)43-17-7-9-25-55(43)61-57;1-3-14-41-39(12-1)40-13-2-4-15-42(40)51-34-53-47-21-11-20-38(37-26-29-59-55(32-37)46-19-8-10-23-57(46)62-59)60(47)48-27-24-35(30-49(48)43-16-5-6-17-44(43)52(53)33-50(41)51)36-25-28-58-54(31-36)45-18-7-9-22-56(45)61-58;1-3-13-41-39(11-1)40-12-2-4-14-42(40)52-34-54-46-26-22-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)30-50(46)44-16-6-5-15-43(44)49-29-35(21-25-45(49)53(54)33-51(41)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59/h6*1-34H/b45-41-,49-42-,53-46-,54-50-;45-41-,51-44-,52-48-,60-55-;48-41-,49-44-,52-45-,60-55-;51-47-,52-48-,59-45-,60-46-;49-43-,52-44-,53-47-,60-48-;49-43-,50-44-,53-45-,54-46-.
What are the key properties of 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene?
2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene has a molecular weight of 4914.40 g/mol, XLogP of 109.18, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene is sourced from PubChem (CID 158901330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).