10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene

C300H170N14O6S2 — CID 158068936

IUPAC10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
SMILESc1ccc2c(c1)-c1ccc3cccnc3c1-c1ccccc1-c1ccc3cccnc3c1-2.c1cnc2c3c(ccc2c1)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-c1c(ccc2cccnc12)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-c1c(ccc2cccnc12)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2cccc4c2oc2ccccc24)ccc1-c1c(ccc2cccnc12)-c1cc(-c2cccc4c2oc2ccccc24)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2cccc4c2sc2ccccc24)ccc1-c1c(ccc2cccnc12)-c1cc(-c2cccc4c2sc2ccccc24)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-n2c4ccccc4c4ccccc42)ccc1-c1c(ccc2cccnc12)-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3
InChIInChI=1S/C54H32N4.3C54H30N2O2.C54H30N2S2.C30H18N2/c1-5-17-47-37(13-1)38-14-2-6-18-48(38)57(47)35-23-27-43-45(31-35)41-25-21-33-11-9-29-55-53(33)51(41)44-28-24-36(32-46(44)42-26-22-34-12-10-30-56-54(34)52(42)43)58-49-19-7-3-15-39(49)40-16-4-8-20-50(40)58;1-3-17-47-37(11-1)43-15-5-13-35(53(43)57-47)33-21-25-41-45(29-33)39-23-19-31-9-7-27-55-51(31)49(39)42-26-22-34(30-46(42)40-24-20-32-10-8-28-56-52(32)50(40)41)36-14-6-16-44-38-12-2-4-18-48(38)58-54(36)44;2*1-3-11-47-37(9-1)45-29-35(17-23-49(45)57-47)33-15-21-41-43(27-33)39-19-13-31-7-5-25-55-53(31)51(39)42-22-16-34(28-44(42)40-20-14-32-8-6-26-56-54(32)52(40)41)36-18-24-50-46(30-36)38-10-2-4-12-48(38)58-50;1-3-17-47-37(11-1)43-15-5-13-35(53(43)57-47)33-21-25-41-45(29-33)39-23-19-31-9-7-27-55-51(31)49(39)42-26-22-34(30-46(42)40-24-20-32-10-8-28-56-52(32)50(40)41)36-14-6-16-44-38-12-2-4-18-48(38)58-54(36)44;1-3-11-23-21(9-1)25-15-13-19-7-5-18-32-30(19)28(25)24-12-4-2-10-22(24)26-16-14-20-8-6-17-31-29(20)27(23)26/h1-32H;4*1-30H;1-18H/b45-41-,46-42-,51-44+,52-43+;45-39-,46-40-,49-42+,50-41+;2*43-39-,44-40-,51-42+,52-41+;45-39-,46-40-,49-42+,50-41+;25-21-,26-22-,27-23+,28-24+
InChIKeyFLOVSFBPXAQISY-LUTCPTDFSA-N
MW4130.89 g/mol
LogP82.25
Rot. Bonds10

About 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene

10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene (PubChem CID 158068936) has the molecular formula C300H170N14O6S2 and a molecular weight of 4130.89 g/mol. Its IUPAC name is 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene.

Molecular Properties

Compound Name10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
PubChem CID158068936
Molecular FormulaC300H170N14O6S2
Molecular Weight4130.89 g/mol
Exact Mass4127.29
IUPAC Name10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
SMILESc1ccc2c(c1)-c1ccc3cccnc3c1-c1ccccc1-c1ccc3cccnc3c1-2.c1cnc2c3c(ccc2c1)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-c1c(ccc2cccnc12)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-c1c(ccc2cccnc12)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2cccc4c2oc2ccccc24)ccc1-c1c(ccc2cccnc12)-c1cc(-c2cccc4c2oc2ccccc24)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2cccc4c2sc2ccccc24)ccc1-c1c(ccc2cccnc12)-c1cc(-c2cccc4c2sc2ccccc24)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-n2c4ccccc4c4ccccc42)ccc1-c1c(ccc2cccnc12)-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3
InChIInChI=1S/C54H32N4.3C54H30N2O2.C54H30N2S2.C30H18N2/c1-5-17-47-37(13-1)38-14-2-6-18-48(38)57(47)35-23-27-43-45(31-35)41-25-21-33-11-9-29-55-53(33)51(41)44-28-24-36(32-46(44)42-26-22-34-12-10-30-56-54(34)52(42)43)58-49-19-7-3-15-39(49)40-16-4-8-20-50(40)58;1-3-17-47-37(11-1)43-15-5-13-35(53(43)57-47)33-21-25-41-45(29-33)39-23-19-31-9-7-27-55-51(31)49(39)42-26-22-34(30-46(42)40-24-20-32-10-8-28-56-52(32)50(40)41)36-14-6-16-44-38-12-2-4-18-48(38)58-54(36)44;2*1-3-11-47-37(9-1)45-29-35(17-23-49(45)57-47)33-15-21-41-43(27-33)39-19-13-31-7-5-25-55-53(31)51(39)42-22-16-34(28-44(42)40-20-14-32-8-6-26-56-54(32)52(40)41)36-18-24-50-46(30-36)38-10-2-4-12-48(38)58-50;1-3-17-47-37(11-1)43-15-5-13-35(53(43)57-47)33-21-25-41-45(29-33)39-23-19-31-9-7-27-55-51(31)49(39)42-26-22-34(30-46(42)40-24-20-32-10-8-28-56-52(32)50(40)41)36-14-6-16-44-38-12-2-4-18-48(38)58-54(36)44;1-3-11-23-21(9-1)25-15-13-19-7-5-18-32-30(19)28(25)24-12-4-2-10-22(24)26-16-14-20-8-6-17-31-29(20)27(23)26/h1-32H;4*1-30H;1-18H/b45-41-,46-42-,51-44+,52-43+;45-39-,46-40-,49-42+,50-41+;2*43-39-,44-40-,51-42+,52-41+;45-39-,46-40-,49-42+,50-41+;25-21-,26-22-,27-23+,28-24+
InChIKeyFLOVSFBPXAQISY-LUTCPTDFSA-N
XLogP82.25
TPSA243.38 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004130.89
LogP ≤ 582.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
CID 137294981
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
5-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;6-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;9-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;10-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;11-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene
CID 159439237
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
CID 158556744
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 161381988
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 162161949
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 158582607
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzofuran-4-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 161391565
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903
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

Frequently Asked Questions

What is the IUPAC name of 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene?
The IUPAC name of 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene (CID 158068936) is 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene.
What is the SMILES notation for 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene?
The canonical SMILES for 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene is c1ccc2c(c1)-c1ccc3cccnc3c1-c1ccccc1-c1ccc3cccnc3c1-2.c1cnc2c3c(ccc2c1)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-c1c(ccc2cccnc12)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-c1c(ccc2cccnc12)-c1cc(-c2ccc4oc5ccccc5c4c2)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2cccc4c2oc2ccccc24)ccc1-c1c(ccc2cccnc12)-c1cc(-c2cccc4c2oc2ccccc24)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-c2cccc4c2sc2ccccc24)ccc1-c1c(ccc2cccnc12)-c1cc(-c2cccc4c2sc2ccccc24)ccc1-3.c1cnc2c3c(ccc2c1)-c1cc(-n2c4ccccc4c4ccccc42)ccc1-c1c(ccc2cccnc12)-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3.
What is the InChIKey of 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene?
The InChIKey is FLOVSFBPXAQISY-LUTCPTDFSA-N. The full InChI is InChI=1S/C54H32N4.3C54H30N2O2.C54H30N2S2.C30H18N2/c1-5-17-47-37(13-1)38-14-2-6-18-48(38)57(47)35-23-27-43-45(31-35)41-25-21-33-11-9-29-55-53(33)51(41)44-28-24-36(32-46(44)42-26-22-34-12-10-30-56-54(34)52(42)43)58-49-19-7-3-15-39(49)40-16-4-8-20-50(40)58;1-3-17-47-37(11-1)43-15-5-13-35(53(43)57-47)33-21-25-41-45(29-33)39-23-19-31-9-7-27-55-51(31)49(39)42-26-22-34(30-46(42)40-24-20-32-10-8-28-56-52(32)50(40)41)36-14-6-16-44-38-12-2-4-18-48(38)58-54(36)44;2*1-3-11-47-37(9-1)45-29-35(17-23-49(45)57-47)33-15-21-41-43(27-33)39-19-13-31-7-5-25-55-53(31)51(39)42-22-16-34(28-44(42)40-20-14-32-8-6-26-56-54(32)52(40)41)36-18-24-50-46(30-36)38-10-2-4-12-48(38)58-50;1-3-17-47-37(11-1)43-15-5-13-35(53(43)57-47)33-21-25-41-45(29-33)39-23-19-31-9-7-27-55-51(31)49(39)42-26-22-34(30-46(42)40-24-20-32-10-8-28-56-52(32)50(40)41)36-14-6-16-44-38-12-2-4-18-48(38)58-54(36)44;1-3-11-23-21(9-1)25-15-13-19-7-5-18-32-30(19)28(25)24-12-4-2-10-22(24)26-16-14-20-8-6-17-31-29(20)27(23)26/h1-32H;4*1-30H;1-18H/b45-41-,46-42-,51-44+,52-43+;45-39-,46-40-,49-42+,50-41+;2*43-39-,44-40-,51-42+,52-41+;45-39-,46-40-,49-42+,50-41+;25-21-,26-22-,27-23+,28-24+.
What are the key properties of 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene?
10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene has a molecular weight of 4130.89 g/mol, XLogP of 82.25, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene is sourced from PubChem (CID 158068936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).