15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene

C288H179N17O3S3 — CID 158117342

IUPAC15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
SMILESc1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2cc(-c3cccc5c3sc3ccccc35)ccc2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccccc2c2c(-c3cccc5c3sc3ccccc35)cccc2c2cccnc42)cc1.c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccccc2c2cc(-c3cccc5c3sc3ccccc35)ccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccc(-n3c5ccccc5c5ccccc53)cc2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cccc(-n3c5ccccc5c5ccccc53)c2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccccc2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/3C53H33N3S.2C47H29N3O.C35H22N2O/c1-3-16-34(17-4-1)55-46-28-10-11-29-47(46)56(35-18-5-2-6-19-35)49-33-45-44(32-48(49)55)36-20-7-8-22-38(36)51-39(41-27-15-31-54-52(41)45)23-13-24-40(51)43-26-14-25-42-37-21-9-12-30-50(37)57-53(42)43;1-3-15-35(16-4-1)55-47-25-10-11-26-48(47)56(36-17-5-2-6-18-36)50-33-46-45(32-49(50)55)39-20-8-7-19-38(39)44-31-34(28-29-40(44)42-24-14-30-54-52(42)46)37-22-13-23-43-41-21-9-12-27-51(41)57-53(37)43;1-3-15-35(16-4-1)55-47-25-10-11-26-48(47)56(36-17-5-2-6-18-36)50-33-46-45(32-49(50)55)44-31-34(37-22-13-23-43-41-21-9-12-27-51(41)57-53(37)43)28-29-40(44)38-19-7-8-20-39(38)42-24-14-30-54-52(42)46;1-2-14-30(15-3-1)49-41-24-10-11-26-44(41)51-45-29-38-37(28-43(45)49)35-20-12-25-42(50-39-22-8-6-17-32(39)33-18-7-9-23-40(33)50)46(35)34-19-5-4-16-31(34)36-21-13-27-48-47(36)38;1-2-13-30(14-3-1)49-43-22-10-11-23-45(43)51-46-29-40-39(28-44(46)49)34-25-24-31(50-41-20-8-6-17-35(41)36-18-7-9-21-42(36)50)27-38(34)33-16-5-4-15-32(33)37-19-12-26-48-47(37)40;1-2-11-23(12-3-1)37-31-18-8-9-19-33(31)38-34-22-30-29(21-32(34)37)27-16-7-5-14-25(27)24-13-4-6-15-26(24)28-17-10-20-36-35(28)30/h3*1-33H;2*1-29H;1-22H/b41-39-,44-36-,51-38+,52-45+;42-40-,44-38-,45-39-,52-46+;40-38-,42-39-,45-44-,52-46+;36-31-,37-35-,46-34+,47-38+;37-32-,38-33-,39-34-,47-40+;25-24-,28-26-,29-27-,35-30+
InChIKeyFREDJOJALJQPHZ-XSGSGVNFSA-N
MW4021.92 g/mol
LogP78.95
Rot. Bonds14

About 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene

15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene (PubChem CID 158117342) has the molecular formula C288H179N17O3S3 and a molecular weight of 4021.92 g/mol. Its IUPAC name is 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene.

Molecular Properties

Compound Name15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
PubChem CID158117342
Molecular FormulaC288H179N17O3S3
Molecular Weight4021.92 g/mol
Exact Mass4018.35
IUPAC Name15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
SMILESc1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2cc(-c3cccc5c3sc3ccccc35)ccc2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccccc2c2c(-c3cccc5c3sc3ccccc35)cccc2c2cccnc42)cc1.c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccccc2c2cc(-c3cccc5c3sc3ccccc35)ccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccc(-n3c5ccccc5c5ccccc53)cc2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cccc(-n3c5ccccc5c5ccccc53)c2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccccc2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/3C53H33N3S.2C47H29N3O.C35H22N2O/c1-3-16-34(17-4-1)55-46-28-10-11-29-47(46)56(35-18-5-2-6-19-35)49-33-45-44(32-48(49)55)36-20-7-8-22-38(36)51-39(41-27-15-31-54-52(41)45)23-13-24-40(51)43-26-14-25-42-37-21-9-12-30-50(37)57-53(42)43;1-3-15-35(16-4-1)55-47-25-10-11-26-48(47)56(36-17-5-2-6-18-36)50-33-46-45(32-49(50)55)39-20-8-7-19-38(39)44-31-34(28-29-40(44)42-24-14-30-54-52(42)46)37-22-13-23-43-41-21-9-12-27-51(41)57-53(37)43;1-3-15-35(16-4-1)55-47-25-10-11-26-48(47)56(36-17-5-2-6-18-36)50-33-46-45(32-49(50)55)44-31-34(37-22-13-23-43-41-21-9-12-27-51(41)57-53(37)43)28-29-40(44)38-19-7-8-20-39(38)42-24-14-30-54-52(42)46;1-2-14-30(15-3-1)49-41-24-10-11-26-44(41)51-45-29-38-37(28-43(45)49)35-20-12-25-42(50-39-22-8-6-17-32(39)33-18-7-9-23-40(33)50)46(35)34-19-5-4-16-31(34)36-21-13-27-48-47(36)38;1-2-13-30(14-3-1)49-43-22-10-11-23-45(43)51-46-29-40-39(28-44(46)49)34-25-24-31(50-41-20-8-6-17-35(41)36-18-7-9-21-42(36)50)27-38(34)33-16-5-4-15-32(33)37-19-12-26-48-47(37)40;1-2-11-23(12-3-1)37-31-18-8-9-19-33(31)38-34-22-30-29(21-32(34)37)27-16-7-5-14-25(27)24-13-4-6-15-26(24)28-17-10-20-36-35(28)30/h3*1-33H;2*1-29H;1-22H/b41-39-,44-36-,51-38+,52-45+;42-40-,44-38-,45-39-,52-46+;40-38-,42-39-,45-44-,52-46+;36-31-,37-35-,46-34+,47-38+;37-32-,38-33-,39-34-,47-40+;25-24-,28-26-,29-27-,35-30+
InChIKeyFREDJOJALJQPHZ-XSGSGVNFSA-N
XLogP78.95
TPSA170.99 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms311
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004021.92
LogP ≤ 578.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene with MolForge

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Related Compounds

5,10-Bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
CID 162051928
10-(3-Isoquinolin-1-yl-4-methylphenyl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine
CID 117802674
5,25-Di(carbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428541
19,24-Bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428544
5,25-Bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428549
19,24-Di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428550
10-[5-[8-[5-[5-(5-Phenoxazin-10-ylthiophen-2-yl)benzo[g]quinoxalin-10-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]phenoxazine
CID 138489048
Iridium;15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-43-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24,34,37,40,46,49,52-dodecaoxa-15,43,67,70,85,88-hexazatridecacyclo[27.27.10.101,29.457,66.22,5.225,28.230,33.253,56.475,84.060,69.063,68.078,87.081,86]dononaconta-2(92),3,5(91),25(90),26,28(89),30,32,53(72),54,56(71),57(70),58,60(69),61,63(68),64,66,73,75(88),76,78(87),79,81(86),82,84-hexacosaene;2-phenylpyridine
CID 155646527
4,20-bis(1-benzothiophen-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,20-bis(9-phenylcarbazol-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-4-yl]aniline;4,20-dipyridin-3-yl-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 157065891
CID 157079288
CID 157079288
10-(11-Naphthalen-2-ylbenzo[a]carbazol-8-yl)-7-phenylbenzo[c]phenothiazine;7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine;7-naphthalen-2-yl-9-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]phenoxazine;12-naphthalen-2-yl-3-(7-phenanthren-2-ylbenzo[c]carbazol-10-yl)benzo[b]phenothiazine;12-(3-phenylphenyl)-3-[11-(3-phenylphenyl)benzo[a]carbazol-8-yl]benzo[b]phenothiazine;12-(4-phenylphenyl)-3-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]benzo[b]phenothiazine
CID 157126857
11-Carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
CID 157250316

Frequently Asked Questions

What is the IUPAC name of 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The IUPAC name of 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene (CID 158117342) is 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene.
What is the SMILES notation for 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The canonical SMILES for 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene is c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2cc(-c3cccc5c3sc3ccccc35)ccc2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccccc2c2c(-c3cccc5c3sc3ccccc35)cccc2c2cccnc42)cc1.c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccccc2c2cc(-c3cccc5c3sc3ccccc35)ccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccc(-n3c5ccccc5c5ccccc53)cc2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cccc(-n3c5ccccc5c5ccccc53)c2c2ccccc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccccc2c2ccccc2c2cccnc24)cc1.
What is the InChIKey of 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The InChIKey is FREDJOJALJQPHZ-XSGSGVNFSA-N. The full InChI is InChI=1S/3C53H33N3S.2C47H29N3O.C35H22N2O/c1-3-16-34(17-4-1)55-46-28-10-11-29-47(46)56(35-18-5-2-6-19-35)49-33-45-44(32-48(49)55)36-20-7-8-22-38(36)51-39(41-27-15-31-54-52(41)45)23-13-24-40(51)43-26-14-25-42-37-21-9-12-30-50(37)57-53(42)43;1-3-15-35(16-4-1)55-47-25-10-11-26-48(47)56(36-17-5-2-6-18-36)50-33-46-45(32-49(50)55)39-20-8-7-19-38(39)44-31-34(28-29-40(44)42-24-14-30-54-52(42)46)37-22-13-23-43-41-21-9-12-27-51(41)57-53(37)43;1-3-15-35(16-4-1)55-47-25-10-11-26-48(47)56(36-17-5-2-6-18-36)50-33-46-45(32-49(50)55)44-31-34(37-22-13-23-43-41-21-9-12-27-51(41)57-53(37)43)28-29-40(44)38-19-7-8-20-39(38)42-24-14-30-54-52(42)46;1-2-14-30(15-3-1)49-41-24-10-11-26-44(41)51-45-29-38-37(28-43(45)49)35-20-12-25-42(50-39-22-8-6-17-32(39)33-18-7-9-23-40(33)50)46(35)34-19-5-4-16-31(34)36-21-13-27-48-47(36)38;1-2-13-30(14-3-1)49-43-22-10-11-23-45(43)51-46-29-40-39(28-44(46)49)34-25-24-31(50-41-20-8-6-17-35(41)36-18-7-9-21-42(36)50)27-38(34)33-16-5-4-15-32(33)37-19-12-26-48-47(37)40;1-2-11-23(12-3-1)37-31-18-8-9-19-33(31)38-34-22-30-29(21-32(34)37)27-16-7-5-14-25(27)24-13-4-6-15-26(24)28-17-10-20-36-35(28)30/h3*1-33H;2*1-29H;1-22H/b41-39-,44-36-,51-38+,52-45+;42-40-,44-38-,45-39-,52-46+;40-38-,42-39-,45-44-,52-46+;36-31-,37-35-,46-34+,47-38+;37-32-,38-33-,39-34-,47-40+;25-24-,28-26-,29-27-,35-30+.
What are the key properties of 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene has a molecular weight of 4021.92 g/mol, XLogP of 78.95, 14 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 15-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;11-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;12-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;17-dibenzothiophen-4-yl-23,30-diphenyl-3,23,30-triazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene is sourced from PubChem (CID 158117342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).