2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine

C382H246N50O8 — CID 159442216

IUPAC2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)o4)ccc32)=C1.C=CC1C(C(=C)c2nnc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c3)o2)c2ccccc2N1c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[H]/N=C/C=C\C(=C)n1c2ccccc2c2cc(-c3nnc(-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)o3)ccc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)o5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)o6)cccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)cc32)cc1
InChIInChI=1S/C68H46N10O.C53H33N7O.C50H32N4O.C48H30N6O.C47H29N7O.C42H26N6O.C38H26N4O.C36H24N6O/c1-3-56-60(55-35-17-19-37-58(55)77(56)51-32-20-30-48(40-51)65-71-61(44-22-8-4-9-23-44)69-62(72-65)45-24-10-5-11-25-45)43(2)67-75-76-68(79-67)50-38-39-54-53-34-16-18-36-57(53)78(59(54)42-50)52-33-21-31-49(41-52)66-73-63(46-26-12-6-13-27-46)70-64(74-66)47-28-14-7-15-29-47;1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)36-20-14-23-39(32-36)60-45-28-13-11-25-42(45)48-43(26-15-29-46(48)60)53-58-57-52(61-53)37-30-31-41-40-24-10-12-27-44(40)59(47(41)33-37)38-21-8-3-9-22-38;1-3-13-33(14-4-1)35-17-11-19-39(29-35)53-45-23-9-7-21-41(45)43-31-37(25-27-47(43)53)49-51-52-50(55-49)38-26-28-48-44(32-38)42-22-8-10-24-46(42)54(48)40-20-12-18-36(30-40)34-15-5-2-6-16-34;1-4-15-31(16-5-1)39-30-40(32-17-6-2-7-18-32)50-48(49-39)54-42-25-13-11-22-37(42)45-38(23-14-26-43(45)54)47-52-51-46(55-47)33-27-28-36-35-21-10-12-24-41(35)53(44(36)29-33)34-19-8-3-9-20-34;1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-47(49-43)54-39-25-13-11-22-36(39)42-37(23-14-26-40(42)54)46-52-51-45(55-46)32-27-28-35-34-21-10-12-24-38(34)53(41(35)29-32)33-19-8-3-9-20-33;1-2-12-29(13-3-1)47-35-18-6-4-14-30(35)31-23-22-27(25-38(31)47)41-45-46-42(49-41)33-16-8-20-37-40(33)32-15-5-7-19-36(32)48(37)39-21-9-17-34(44-39)28-11-10-24-43-26-28;1-3-11-27(12-4-1)41-33-17-9-7-15-29(33)31-23-25(19-21-35(31)41)37-39-40-38(43-37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)42(36)28-13-5-2-6-14-28;1-23(8-6-18-37)41-31-12-4-2-10-27(31)29-20-24(14-16-33(29)41)35-39-40-36(43-35)25-15-17-34-30(21-25)28-11-3-5-13-32(28)42(34)26-9-7-19-38-22-26/h3-42,56,60H,1-2H2;1-33H;1-32H;1-30H;1-29H;1-26H;1-5,7-13,15-24H,6,14H2;2-22,37H,1H2/b;;;;;;;8-6-,37-18+
InChIKeyLSHUWEJSIMNFKB-SBCHZRACSA-N
MW5664.51 g/mol
LogP92.80
Rot. Bonds52

About 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine

2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine (PubChem CID 159442216) has the molecular formula C382H246N50O8 and a molecular weight of 5664.51 g/mol. Its IUPAC name is 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine
PubChem CID159442216
Molecular FormulaC382H246N50O8
Molecular Weight5664.51 g/mol
Exact Mass5660.04
IUPAC Name2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)o4)ccc32)=C1.C=CC1C(C(=C)c2nnc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c3)o2)c2ccccc2N1c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[H]/N=C/C=C\C(=C)n1c2ccccc2c2cc(-c3nnc(-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)o3)ccc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)o5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)o6)cccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)cc32)cc1
InChIInChI=1S/C68H46N10O.C53H33N7O.C50H32N4O.C48H30N6O.C47H29N7O.C42H26N6O.C38H26N4O.C36H24N6O/c1-3-56-60(55-35-17-19-37-58(55)77(56)51-32-20-30-48(40-51)65-71-61(44-22-8-4-9-23-44)69-62(72-65)45-24-10-5-11-25-45)43(2)67-75-76-68(79-67)50-38-39-54-53-34-16-18-36-57(53)78(59(54)42-50)52-33-21-31-49(41-52)66-73-63(46-26-12-6-13-27-46)70-64(74-66)47-28-14-7-15-29-47;1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)36-20-14-23-39(32-36)60-45-28-13-11-25-42(45)48-43(26-15-29-46(48)60)53-58-57-52(61-53)37-30-31-41-40-24-10-12-27-44(40)59(47(41)33-37)38-21-8-3-9-22-38;1-3-13-33(14-4-1)35-17-11-19-39(29-35)53-45-23-9-7-21-41(45)43-31-37(25-27-47(43)53)49-51-52-50(55-49)38-26-28-48-44(32-38)42-22-8-10-24-46(42)54(48)40-20-12-18-36(30-40)34-15-5-2-6-16-34;1-4-15-31(16-5-1)39-30-40(32-17-6-2-7-18-32)50-48(49-39)54-42-25-13-11-22-37(42)45-38(23-14-26-43(45)54)47-52-51-46(55-47)33-27-28-36-35-21-10-12-24-41(35)53(44(36)29-33)34-19-8-3-9-20-34;1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-47(49-43)54-39-25-13-11-22-36(39)42-37(23-14-26-40(42)54)46-52-51-45(55-46)32-27-28-35-34-21-10-12-24-38(34)53(41(35)29-32)33-19-8-3-9-20-33;1-2-12-29(13-3-1)47-35-18-6-4-14-30(35)31-23-22-27(25-38(31)47)41-45-46-42(49-41)33-16-8-20-37-40(33)32-15-5-7-19-36(32)48(37)39-21-9-17-34(44-39)28-11-10-24-43-26-28;1-3-11-27(12-4-1)41-33-17-9-7-15-29(33)31-23-25(19-21-35(31)41)37-39-40-38(43-37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)42(36)28-13-5-2-6-14-28;1-23(8-6-18-37)41-31-12-4-2-10-27(31)29-20-24(14-16-33(29)41)35-39-40-36(43-35)25-15-17-34-30(21-25)28-11-3-5-13-32(28)42(34)26-9-7-19-38-22-26/h3-42,56,60H,1-2H2;1-33H;1-32H;1-30H;1-29H;1-26H;1-5,7-13,15-24H,6,14H2;2-22,37H,1H2/b;;;;;;;8-6-,37-18+
InChIKeyLSHUWEJSIMNFKB-SBCHZRACSA-N
XLogP92.80
TPSA631.53 Ų
H-Bond Donors1
H-Bond Acceptors58
Rotatable Bonds52
Heavy Atoms440
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005664.51
LogP ≤ 592.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1058

Analyze 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
The IUPAC name of 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine (CID 159442216) is 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
The canonical SMILES for 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine is C1=CCCC(n2c3ccccc3c3cc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)o4)ccc32)=C1.C=CC1C(C(=C)c2nnc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c3)o2)c2ccccc2N1c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[H]/N=C/C=C\C(=C)n1c2ccccc2c2cc(-c3nnc(-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)o3)ccc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)o5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)o6)cccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)cc32)cc1.
What is the InChIKey of 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
The InChIKey is LSHUWEJSIMNFKB-SBCHZRACSA-N. The full InChI is InChI=1S/C68H46N10O.C53H33N7O.C50H32N4O.C48H30N6O.C47H29N7O.C42H26N6O.C38H26N4O.C36H24N6O/c1-3-56-60(55-35-17-19-37-58(55)77(56)51-32-20-30-48(40-51)65-71-61(44-22-8-4-9-23-44)69-62(72-65)45-24-10-5-11-25-45)43(2)67-75-76-68(79-67)50-38-39-54-53-34-16-18-36-57(53)78(59(54)42-50)52-33-21-31-49(41-52)66-73-63(46-26-12-6-13-27-46)70-64(74-66)47-28-14-7-15-29-47;1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)36-20-14-23-39(32-36)60-45-28-13-11-25-42(45)48-43(26-15-29-46(48)60)53-58-57-52(61-53)37-30-31-41-40-24-10-12-27-44(40)59(47(41)33-37)38-21-8-3-9-22-38;1-3-13-33(14-4-1)35-17-11-19-39(29-35)53-45-23-9-7-21-41(45)43-31-37(25-27-47(43)53)49-51-52-50(55-49)38-26-28-48-44(32-38)42-22-8-10-24-46(42)54(48)40-20-12-18-36(30-40)34-15-5-2-6-16-34;1-4-15-31(16-5-1)39-30-40(32-17-6-2-7-18-32)50-48(49-39)54-42-25-13-11-22-37(42)45-38(23-14-26-43(45)54)47-52-51-46(55-47)33-27-28-36-35-21-10-12-24-41(35)53(44(36)29-33)34-19-8-3-9-20-34;1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-47(49-43)54-39-25-13-11-22-36(39)42-37(23-14-26-40(42)54)46-52-51-45(55-46)32-27-28-35-34-21-10-12-24-38(34)53(41(35)29-32)33-19-8-3-9-20-33;1-2-12-29(13-3-1)47-35-18-6-4-14-30(35)31-23-22-27(25-38(31)47)41-45-46-42(49-41)33-16-8-20-37-40(33)32-15-5-7-19-36(32)48(37)39-21-9-17-34(44-39)28-11-10-24-43-26-28;1-3-11-27(12-4-1)41-33-17-9-7-15-29(33)31-23-25(19-21-35(31)41)37-39-40-38(43-37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)42(36)28-13-5-2-6-14-28;1-23(8-6-18-37)41-31-12-4-2-10-27(31)29-20-24(14-16-33(29)41)35-39-40-36(43-35)25-15-17-34-30(21-25)28-11-3-5-13-32(28)42(34)26-9-7-19-38-22-26/h3-42,56,60H,1-2H2;1-33H;1-32H;1-30H;1-29H;1-26H;1-5,7-13,15-24H,6,14H2;2-22,37H,1H2/b;;;;;;;8-6-,37-18+.
What are the key properties of 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine has a molecular weight of 5664.51 g/mol, XLogP of 92.80, 52 rotatable bonds, 1 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-2,3-dihydroindol-3-yl]ethenyl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;(2Z)-4-[3-[5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 159442216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).