11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

C271H168N20S5 — CID 161308053

IUPAC11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c43)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc8sc7c65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5cnc(-c6ccccc6)nc5-c5ccccc5)c43)c2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7cc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c8cc7sc6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5ccccc5)c43)nc3ccccc23)cc1
InChIInChI=1S/2C58H36N4S.C56H34N4S.C55H36N4S.C44H26N4S/c1-5-17-37(18-6-1)41-31-42(38-19-7-2-8-20-38)33-43(32-41)61-50-27-15-14-26-45(50)48-34-49-47-30-29-46-44-25-13-16-28-51(44)62(56(46)57(47)63-54(49)35-52(48)61)53-36-59-58(40-23-11-4-12-24-40)60-55(53)39-21-9-3-10-22-39;1-4-14-39(15-5-1)50-35-51(60-58(59-50)41-16-6-2-7-17-41)40-26-24-37(25-27-40)38-28-30-43(31-29-38)62-53-23-13-10-20-44(53)46-32-33-47-49-34-48-45-21-11-12-22-52(45)61(42-18-8-3-9-19-42)54(48)36-55(49)63-57(47)56(46)62;1-3-13-35(14-4-1)37-23-25-39(26-24-37)53-45-19-7-10-20-48(45)57-56(58-53)60-50-22-12-8-17-41(50)43-31-32-44-47-33-46-42-18-9-11-21-49(42)59(51(46)34-52(47)61-55(44)54(43)60)40-29-27-38(28-30-40)36-15-5-2-6-16-36;1-55(2)47-16-6-3-13-39(47)40-20-19-37(28-48(40)55)58-49-17-7-5-15-42(49)45-29-46-44-22-21-43-41-14-4-8-18-50(41)59(53(43)54(44)60-52(46)30-51(45)58)38-26-35(33-11-9-23-56-31-33)25-36(27-38)34-12-10-24-57-32-34;1-3-13-27(14-4-1)41-33-19-7-10-20-36(33)45-44(46-41)48-38-22-12-9-18-30(38)34-25-35-32-24-23-31-29-17-8-11-21-37(29)47(28-15-5-2-6-16-28)42(31)43(32)49-40(35)26-39(34)48/h2*1-36H;1-34H;3-32H,1-2H3;1-26H
InChIKeyVINDXYSJHHRNSU-UHFFFAOYSA-N
MW3864.80 g/mol
LogP73.14
Rot. Bonds24

About 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 161308053) has the molecular formula C271H168N20S5 and a molecular weight of 3864.80 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
PubChem CID161308053
Molecular FormulaC271H168N20S5
Molecular Weight3864.80 g/mol
Exact Mass3861.24
IUPAC Name11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c43)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc8sc7c65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5cnc(-c6ccccc6)nc5-c5ccccc5)c43)c2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7cc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c8cc7sc6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5ccccc5)c43)nc3ccccc23)cc1
InChIInChI=1S/2C58H36N4S.C56H34N4S.C55H36N4S.C44H26N4S/c1-5-17-37(18-6-1)41-31-42(38-19-7-2-8-20-38)33-43(32-41)61-50-27-15-14-26-45(50)48-34-49-47-30-29-46-44-25-13-16-28-51(44)62(56(46)57(47)63-54(49)35-52(48)61)53-36-59-58(40-23-11-4-12-24-40)60-55(53)39-21-9-3-10-22-39;1-4-14-39(15-5-1)50-35-51(60-58(59-50)41-16-6-2-7-17-41)40-26-24-37(25-27-40)38-28-30-43(31-29-38)62-53-23-13-10-20-44(53)46-32-33-47-49-34-48-45-21-11-12-22-52(45)61(42-18-8-3-9-19-42)54(48)36-55(49)63-57(47)56(46)62;1-3-13-35(14-4-1)37-23-25-39(26-24-37)53-45-19-7-10-20-48(45)57-56(58-53)60-50-22-12-8-17-41(50)43-31-32-44-47-33-46-42-18-9-11-21-49(42)59(51(46)34-52(47)61-55(44)54(43)60)40-29-27-38(28-30-40)36-15-5-2-6-16-36;1-55(2)47-16-6-3-13-39(47)40-20-19-37(28-48(40)55)58-49-17-7-5-15-42(49)45-29-46-44-22-21-43-41-14-4-8-18-50(41)59(53(43)54(44)60-52(46)30-51(45)58)38-26-35(33-11-9-23-56-31-33)25-36(27-38)34-12-10-24-57-32-34;1-3-13-27(14-4-1)41-33-19-7-10-20-36(33)45-44(46-41)48-38-22-12-9-18-30(38)34-25-35-32-24-23-31-29-17-8-11-21-37(29)47(28-15-5-2-6-16-28)42(31)43(32)49-40(35)26-39(34)48/h2*1-36H;1-34H;3-32H,1-2H3;1-26H
InChIKeyVINDXYSJHHRNSU-UHFFFAOYSA-N
XLogP73.14
TPSA178.20 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003864.80
LogP ≤ 573.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

18-phenyl-11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 130397981
12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 159827960
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 158627834
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 159749982
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 164991274
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
19,19-dimethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene;15-(2,6-diphenyl-4-pyridinyl)-19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene;15-(2,4-diphenylpyrimidin-5-yl)-19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 158277389
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
CID 158831025
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (CID 161308053) is 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c43)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc8sc7c65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5cnc(-c6ccccc6)nc5-c5ccccc5)c43)c2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7cc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c8cc7sc6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5ccccc5)c43)nc3ccccc23)cc1.
What is the InChIKey of 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The InChIKey is VINDXYSJHHRNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H36N4S.C56H34N4S.C55H36N4S.C44H26N4S/c1-5-17-37(18-6-1)41-31-42(38-19-7-2-8-20-38)33-43(32-41)61-50-27-15-14-26-45(50)48-34-49-47-30-29-46-44-25-13-16-28-51(44)62(56(46)57(47)63-54(49)35-52(48)61)53-36-59-58(40-23-11-4-12-24-40)60-55(53)39-21-9-3-10-22-39;1-4-14-39(15-5-1)50-35-51(60-58(59-50)41-16-6-2-7-17-41)40-26-24-37(25-27-40)38-28-30-43(31-29-38)62-53-23-13-10-20-44(53)46-32-33-47-49-34-48-45-21-11-12-22-52(45)61(42-18-8-3-9-19-42)54(48)36-55(49)63-57(47)56(46)62;1-3-13-35(14-4-1)37-23-25-39(26-24-37)53-45-19-7-10-20-48(45)57-56(58-53)60-50-22-12-8-17-41(50)43-31-32-44-47-33-46-42-18-9-11-21-49(42)59(51(46)34-52(47)61-55(44)54(43)60)40-29-27-38(28-30-40)36-15-5-2-6-16-36;1-55(2)47-16-6-3-13-39(47)40-20-19-37(28-48(40)55)58-49-17-7-5-15-42(49)45-29-46-44-22-21-43-41-14-4-8-18-50(41)59(53(43)54(44)60-52(46)30-51(45)58)38-26-35(33-11-9-23-56-31-33)25-36(27-38)34-12-10-24-57-32-34;1-3-13-27(14-4-1)41-33-19-7-10-20-36(33)45-44(46-41)48-38-22-12-9-18-30(38)34-25-35-32-24-23-31-29-17-8-11-21-37(29)47(28-15-5-2-6-16-28)42(31)43(32)49-40(35)26-39(34)48/h2*1-36H;1-34H;3-32H,1-2H3;1-26H.
What are the key properties of 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 3864.80 g/mol, XLogP of 73.14, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-dimethylfluoren-2-yl)-18-(3,5-dipyridin-3-ylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(3,5-diphenylphenyl)-18-(2,4-diphenylpyrimidin-5-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-(4-phenylphenyl)-18-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-11-(4-phenylquinazolin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 161308053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).