9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C302H190N30O2S4 — CID 158904298

IUPAC9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)s3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3-n3c4ccccc4c4ccccc43)n2)s1.c1ccc(-c2nc(-c3ncccn3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7c6sc6ccccc67)nc(-c6cccc7c6sc6ccccc67)n5)c(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C81H47N7O2.C81H47N7S2.C73H55N7S2.C67H41N9/c2*1-3-23-48(24-4-1)85-65-40-16-9-31-57(65)71-74-72(58-32-10-17-41-66(58)86(74)49-25-5-2-6-26-49)76-73(75(71)85)59-33-11-18-42-67(59)87(76)50-45-46-60(68(47-50)88-63-38-14-7-27-51(63)52-28-8-15-39-64(52)88)79-82-80(61-36-21-34-55-53-29-12-19-43-69(53)89-77(55)61)84-81(83-79)62-37-22-35-56-54-30-13-20-44-70(54)90-78(56)62;1-72(2,3)61-41-39-59(81-61)70-74-69(75-71(76-70)60-40-42-62(82-60)73(4,5)6)52-38-37-46(43-58(52)80-53-32-18-13-27-47(53)48-28-14-19-33-54(48)80)79-57-36-22-17-31-51(57)65-67-63(49-29-15-20-34-55(49)77(67)44-23-9-7-10-24-44)66-64(68(65)79)50-30-16-21-35-56(50)78(66)45-25-11-8-12-26-45;1-4-21-42(22-5-1)64-70-65(72-67(71-64)66-68-39-20-40-69-66)51-38-37-45(41-57(51)76-52-32-15-10-27-46(52)47-28-11-16-33-53(47)76)75-56-36-19-14-31-50(56)60-62-58(48-29-12-17-34-54(48)73(62)43-23-6-2-7-24-43)61-59(63(60)75)49-30-13-18-35-55(49)74(61)44-25-8-3-9-26-44/h2*1-47H;7-43H,1-6H3;1-41H
InChIKeyJFVQOPMIHCCULM-UHFFFAOYSA-N
MW4399.32 g/mol
LogP79.09
Rot. Bonds28

About 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 158904298) has the molecular formula C302H190N30O2S4 and a molecular weight of 4399.32 g/mol. Its IUPAC name is 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
PubChem CID158904298
Molecular FormulaC302H190N30O2S4
Molecular Weight4399.32 g/mol
Exact Mass4395.46
IUPAC Name9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)s3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3-n3c4ccccc4c4ccccc43)n2)s1.c1ccc(-c2nc(-c3ncccn3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7c6sc6ccccc67)nc(-c6cccc7c6sc6ccccc67)n5)c(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C81H47N7O2.C81H47N7S2.C73H55N7S2.C67H41N9/c2*1-3-23-48(24-4-1)85-65-40-16-9-31-57(65)71-74-72(58-32-10-17-41-66(58)86(74)49-25-5-2-6-26-49)76-73(75(71)85)59-33-11-18-42-67(59)87(76)50-45-46-60(68(47-50)88-63-38-14-7-27-51(63)52-28-8-15-39-64(52)88)79-82-80(61-36-21-34-55-53-29-12-19-43-69(53)89-77(55)61)84-81(83-79)62-37-22-35-56-54-30-13-20-44-70(54)90-78(56)62;1-72(2,3)61-41-39-59(81-61)70-74-69(75-71(76-70)60-40-42-62(82-60)73(4,5)6)52-38-37-46(43-58(52)80-53-32-18-13-27-47(53)48-28-14-19-33-54(48)80)79-57-36-22-17-31-51(57)65-67-63(49-29-15-20-34-55(49)77(67)44-23-9-7-10-24-44)66-64(68(65)79)50-30-16-21-35-56(50)78(66)45-25-11-8-12-26-45;1-4-21-42(22-5-1)64-70-65(72-67(71-64)66-68-39-20-40-69-66)51-38-37-45(41-57(51)76-52-32-15-10-27-46(52)47-28-11-16-33-53(47)76)75-56-36-19-14-31-50(56)60-62-58(48-29-12-17-34-54(48)73(62)43-23-6-2-7-24-43)61-59(63(60)75)49-30-13-18-35-55(49)74(61)44-25-8-3-9-26-44/h2*1-47H;7-43H,1-6H3;1-41H
InChIKeyJFVQOPMIHCCULM-UHFFFAOYSA-N
XLogP79.09
TPSA285.62 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms338
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004399.32
LogP ≤ 579.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene with MolForge

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Related Compounds

2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
bis(N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide);N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-thiophen-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 157464586
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157680332
CID 157743742
CID 157743742
5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
CID 159604404
5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
CID 159623500
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
5-[4-(2,6-Diphenylpyrimidin-4-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 160059678
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160897693
5-[2-[5-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 160986662
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
CID 162193603

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The IUPAC name of 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 158904298) is 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.
What is the SMILES notation for 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The canonical SMILES for 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)s3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3-n3c4ccccc4c4ccccc43)n2)s1.c1ccc(-c2nc(-c3ncccn3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7c6sc6ccccc67)nc(-c6cccc7c6sc6ccccc67)n5)c(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1.
What is the InChIKey of 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The InChIKey is JFVQOPMIHCCULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H47N7O2.C81H47N7S2.C73H55N7S2.C67H41N9/c2*1-3-23-48(24-4-1)85-65-40-16-9-31-57(65)71-74-72(58-32-10-17-41-66(58)86(74)49-25-5-2-6-26-49)76-73(75(71)85)59-33-11-18-42-67(59)87(76)50-45-46-60(68(47-50)88-63-38-14-7-27-51(63)52-28-8-15-39-64(52)88)79-82-80(61-36-21-34-55-53-29-12-19-43-69(53)89-77(55)61)84-81(83-79)62-37-22-35-56-54-30-13-20-44-70(54)90-78(56)62;1-72(2,3)61-41-39-59(81-61)70-74-69(75-71(76-70)60-40-42-62(82-60)73(4,5)6)52-38-37-46(43-58(52)80-53-32-18-13-27-47(53)48-28-14-19-33-54(48)80)79-57-36-22-17-31-51(57)65-67-63(49-29-15-20-34-55(49)77(67)44-23-9-7-10-24-44)66-64(68(65)79)50-30-16-21-35-56(50)78(66)45-25-11-8-12-26-45;1-4-21-42(22-5-1)64-70-65(72-67(71-64)66-68-39-20-40-69-66)51-38-37-45(41-57(51)76-52-32-15-10-27-46(52)47-28-11-16-33-53(47)76)75-56-36-19-14-31-50(56)60-62-58(48-29-12-17-34-54(48)73(62)43-23-6-2-7-24-43)61-59(63(60)75)49-30-13-18-35-55(49)74(61)44-25-8-3-9-26-44/h2*1-47H;7-43H,1-6H3;1-41H.
What are the key properties of 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 4399.32 g/mol, XLogP of 79.09, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(5-tert-butylthiophen-2-yl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylphenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-[4,6-di(dibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;9-[3-carbazol-9-yl-4-(4-phenyl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 158904298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).