9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C416H242F4N46O7 — CID 164948301

IUPAC9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFC(F)(F)c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cnccc21.Fc1c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc2c(c1)oc1cccc(-c3cnnc(-c4cccc5oc6ccccc6c45)c3-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c12.c1cnc2c(c1)oc1cccc(-c3cnc(-c4cccc5oc6cccnc6c45)c(-c4cccc5oc6cccnc6c45)c3-c3cccc4oc5cccnc5c34)c12.c1cnc2c3ncccc3n(-c3nc(-n4c5cccnc5c5ncccc54)c(-n4c5cccnc5c5ncccc54)c(-n4c5cccnc5c5ncccc54)n3)c2c1
InChIInChI=1S/C105H66N8.C102H61FN8.C64H37F3N8.C52H29N3O3.C49H25N5O4.C44H24N14/c1-7-27-67(28-8-1)73-47-53-94-84(59-73)85-60-74(68-29-9-2-10-30-68)48-54-95(85)111(94)100-63-77(105-107-103(71-35-15-5-16-36-71)106-104(108-105)72-37-17-6-18-38-72)64-101(112-96-55-49-75(69-31-11-3-12-32-69)61-86(96)87-62-76(50-56-97(87)112)70-33-13-4-14-34-70)102(100)113-98-57-51-78(109-90-43-23-19-39-80(90)81-40-20-24-44-91(81)109)65-88(98)89-66-79(52-58-99(89)113)110-92-45-25-21-41-82(92)83-42-22-26-46-93(83)110;103-97-98(107-91-50-24-11-37-75(91)78-59-62(53-56-94(78)107)104-81-40-14-1-27-65(81)66-28-2-15-41-82(66)104)100(109-87-46-20-7-33-71(87)72-34-8-21-47-88(72)109)102(111-93-52-26-13-39-77(93)80-61-64(55-58-96(80)111)106-85-44-18-5-31-69(85)70-32-6-19-45-86(70)106)101(110-89-48-22-9-35-73(89)74-36-10-23-49-90(74)110)99(97)108-92-51-25-12-38-76(92)79-60-63(54-57-95(79)108)105-83-42-16-3-29-67(83)68-30-4-17-43-84(68)105;65-64(66,67)58-59(71-52-26-12-5-19-42(52)45-35-68-32-29-55(45)71)61(73-48-22-8-1-15-38(48)39-16-2-9-23-49(39)73)63(75-54-28-14-7-21-44(54)47-37-70-34-31-57(47)75)62(74-50-24-10-3-17-40(50)41-18-4-11-25-51(41)74)60(58)72-53-27-13-6-20-43(53)46-36-69-33-30-56(46)72;1-5-17-41-32(11-1)33-12-2-6-18-42(33)55(41)31-24-26-46-39(28-31)38-27-30(23-25-45(38)56-46)49-40(34-15-9-21-47-50(34)35-13-3-7-19-43(35)57-47)29-53-54-52(49)37-16-10-22-48-51(37)36-14-4-8-20-44(36)58-48;1-9-26(40-31(13-1)55-35-17-5-21-50-46(35)40)30-25-54-45(29-12-4-16-34-43(29)49-38(58-34)20-8-24-53-49)44(28-11-3-15-33-42(28)48-37(57-33)19-7-23-52-48)39(30)27-10-2-14-32-41(27)47-36(56-32)18-6-22-51-47;1-9-25-33(45-17-1)34-26(10-2-18-46-34)55(25)41-42(56-27-11-3-19-47-35(27)36-28(56)12-4-20-48-36)53-44(58-31-15-7-23-51-39(31)40-32(58)16-8-24-52-40)54-43(41)57-29-13-5-21-49-37(29)38-30(57)14-6-22-50-38/h1-66H;1-61H;1-37H;1-29H;1-25H;1-24H
InChIKeyAEJYZDJXHZOZPO-UHFFFAOYSA-N
MW6072.82 g/mol
LogP105.23
Rot. Bonds37

About 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 164948301) has the molecular formula C416H242F4N46O7 and a molecular weight of 6072.82 g/mol. Its IUPAC name is 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID164948301
Molecular FormulaC416H242F4N46O7
Molecular Weight6072.82 g/mol
Exact Mass6067.99
IUPAC Name9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFC(F)(F)c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cnccc21.Fc1c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc2c(c1)oc1cccc(-c3cnnc(-c4cccc5oc6ccccc6c45)c3-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c12.c1cnc2c(c1)oc1cccc(-c3cnc(-c4cccc5oc6cccnc6c45)c(-c4cccc5oc6cccnc6c45)c3-c3cccc4oc5cccnc5c34)c12.c1cnc2c3ncccc3n(-c3nc(-n4c5cccnc5c5ncccc54)c(-n4c5cccnc5c5ncccc54)c(-n4c5cccnc5c5ncccc54)n3)c2c1
InChIInChI=1S/C105H66N8.C102H61FN8.C64H37F3N8.C52H29N3O3.C49H25N5O4.C44H24N14/c1-7-27-67(28-8-1)73-47-53-94-84(59-73)85-60-74(68-29-9-2-10-30-68)48-54-95(85)111(94)100-63-77(105-107-103(71-35-15-5-16-36-71)106-104(108-105)72-37-17-6-18-38-72)64-101(112-96-55-49-75(69-31-11-3-12-32-69)61-86(96)87-62-76(50-56-97(87)112)70-33-13-4-14-34-70)102(100)113-98-57-51-78(109-90-43-23-19-39-80(90)81-40-20-24-44-91(81)109)65-88(98)89-66-79(52-58-99(89)113)110-92-45-25-21-41-82(92)83-42-22-26-46-93(83)110;103-97-98(107-91-50-24-11-37-75(91)78-59-62(53-56-94(78)107)104-81-40-14-1-27-65(81)66-28-2-15-41-82(66)104)100(109-87-46-20-7-33-71(87)72-34-8-21-47-88(72)109)102(111-93-52-26-13-39-77(93)80-61-64(55-58-96(80)111)106-85-44-18-5-31-69(85)70-32-6-19-45-86(70)106)101(110-89-48-22-9-35-73(89)74-36-10-23-49-90(74)110)99(97)108-92-51-25-12-38-76(92)79-60-63(54-57-95(79)108)105-83-42-16-3-29-67(83)68-30-4-17-43-84(68)105;65-64(66,67)58-59(71-52-26-12-5-19-42(52)45-35-68-32-29-55(45)71)61(73-48-22-8-1-15-38(48)39-16-2-9-23-49(39)73)63(75-54-28-14-7-21-44(54)47-37-70-34-31-57(47)75)62(74-50-24-10-3-17-40(50)41-18-4-11-25-51(41)74)60(58)72-53-27-13-6-20-43(53)46-36-69-33-30-56(46)72;1-5-17-41-32(11-1)33-12-2-6-18-42(33)55(41)31-24-26-46-39(28-31)38-27-30(23-25-45(38)56-46)49-40(34-15-9-21-47-50(34)35-13-3-7-19-43(35)57-47)29-53-54-52(49)37-16-10-22-48-51(37)36-14-4-8-20-44(36)58-48;1-9-26(40-31(13-1)55-35-17-5-21-50-46(35)40)30-25-54-45(29-12-4-16-34-43(29)49-38(58-34)20-8-24-53-49)44(28-11-3-15-33-42(28)48-37(57-33)19-7-23-52-48)39(30)27-10-2-14-32-41(27)47-36(56-32)18-6-22-51-47;1-9-25-33(45-17-1)34-26(10-2-18-46-34)55(25)41-42(56-27-11-3-19-47-35(27)36-28(56)12-4-20-48-36)53-44(58-31-15-7-23-51-39(31)40-32(58)16-8-24-52-40)54-43(41)57-29-13-5-21-49-37(29)38-30(57)14-6-22-50-38/h1-66H;1-61H;1-37H;1-29H;1-25H;1-24H
InChIKeyAEJYZDJXHZOZPO-UHFFFAOYSA-N
XLogP105.23
TPSA501.84 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds37
Heavy Atoms473
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006072.82
LogP ≤ 5105.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
CID 157477470
CID 157477470
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
CID 158344229
CID 158344229
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158979127
3-[2,6-Di(propan-2-yl)phenyl]-4-phenyl-16-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,4,6,8,10,12,14-heptaene;3-[2,6-di(propan-2-yl)phenyl]-4-phenyl-16-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,4,6,8,10,12,14-heptaene;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonic acid
CID 159638761

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 164948301) is 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is FC(F)(F)c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cnccc21.Fc1c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc2c(c1)oc1cccc(-c3cnnc(-c4cccc5oc6ccccc6c45)c3-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c12.c1cnc2c(c1)oc1cccc(-c3cnc(-c4cccc5oc6cccnc6c45)c(-c4cccc5oc6cccnc6c45)c3-c3cccc4oc5cccnc5c34)c12.c1cnc2c3ncccc3n(-c3nc(-n4c5cccnc5c5ncccc54)c(-n4c5cccnc5c5ncccc54)c(-n4c5cccnc5c5ncccc54)n3)c2c1.
What is the InChIKey of 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is AEJYZDJXHZOZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H66N8.C102H61FN8.C64H37F3N8.C52H29N3O3.C49H25N5O4.C44H24N14/c1-7-27-67(28-8-1)73-47-53-94-84(59-73)85-60-74(68-29-9-2-10-30-68)48-54-95(85)111(94)100-63-77(105-107-103(71-35-15-5-16-36-71)106-104(108-105)72-37-17-6-18-38-72)64-101(112-96-55-49-75(69-31-11-3-12-32-69)61-86(96)87-62-76(50-56-97(87)112)70-33-13-4-14-34-70)102(100)113-98-57-51-78(109-90-43-23-19-39-80(90)81-40-20-24-44-91(81)109)65-88(98)89-66-79(52-58-99(89)113)110-92-45-25-21-41-82(92)83-42-22-26-46-93(83)110;103-97-98(107-91-50-24-11-37-75(91)78-59-62(53-56-94(78)107)104-81-40-14-1-27-65(81)66-28-2-15-41-82(66)104)100(109-87-46-20-7-33-71(87)72-34-8-21-47-88(72)109)102(111-93-52-26-13-39-77(93)80-61-64(55-58-96(80)111)106-85-44-18-5-31-69(85)70-32-6-19-45-86(70)106)101(110-89-48-22-9-35-73(89)74-36-10-23-49-90(74)110)99(97)108-92-51-25-12-38-76(92)79-60-63(54-57-95(79)108)105-83-42-16-3-29-67(83)68-30-4-17-43-84(68)105;65-64(66,67)58-59(71-52-26-12-5-19-42(52)45-35-68-32-29-55(45)71)61(73-48-22-8-1-15-38(48)39-16-2-9-23-49(39)73)63(75-54-28-14-7-21-44(54)47-37-70-34-31-57(47)75)62(74-50-24-10-3-17-40(50)41-18-4-11-25-51(41)74)60(58)72-53-27-13-6-20-43(53)46-36-69-33-30-56(46)72;1-5-17-41-32(11-1)33-12-2-6-18-42(33)55(41)31-24-26-46-39(28-31)38-27-30(23-25-45(38)56-46)49-40(34-15-9-21-47-50(34)35-13-3-7-19-43(35)57-47)29-53-54-52(49)37-16-10-22-48-51(37)36-14-4-8-20-44(36)58-48;1-9-26(40-31(13-1)55-35-17-5-21-50-46(35)40)30-25-54-45(29-12-4-16-34-43(29)49-38(58-34)20-8-24-53-49)44(28-11-3-15-33-42(28)48-37(57-33)19-7-23-52-48)39(30)27-10-2-14-32-41(27)47-36(56-32)18-6-22-51-47;1-9-25-33(45-17-1)34-26(10-2-18-46-34)55(25)41-42(56-27-11-3-19-47-35(27)36-28(56)12-4-20-48-36)53-44(58-31-15-7-23-51-39(31)40-32(58)16-8-24-52-40)54-43(41)57-29-13-5-21-49-37(29)38-30(57)14-6-22-50-38/h1-66H;1-61H;1-37H;1-29H;1-25H;1-24H.
What are the key properties of 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 6072.82 g/mol, XLogP of 105.23, 37 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2,4-di(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-6-fluorophenyl]carbazole;5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;9-[8-[3,5-di(dibenzofuran-1-yl)pyridazin-4-yl]dibenzofuran-2-yl]carbazole;9-[3,4,5-tris([1]benzofuro[3,2-b]pyridin-9-yl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[2,4,6-tris(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrimidin-5-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 164948301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).