2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C213H125F9N28O8Pd8 — CID 160821379

IUPAC2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCC(CC(F)(F)F)c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.CC(Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1)C(F)(F)F.CC(c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1)C(F)(F)F.CCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C54H32F3N7O2.C53H30F3N7O2.C52H31N7O2.8Pd/c1-33(30-54(55,56)57)34-31-60-53(61-32-34)64-49-28-37(65-35-16-20-41-39-10-2-4-12-45(39)62(47(41)26-35)51-14-6-8-24-58-51)18-22-43(49)44-23-19-38(29-50(44)64)66-36-17-21-42-40-11-3-5-13-46(40)63(48(42)27-36)52-15-7-9-25-59-52;1-33(54(55,56)57)26-34-31-60-53(61-32-34)64-49-29-37(65-35-16-20-41-39-10-2-4-12-45(39)62(47(41)27-35)51-14-6-8-24-58-51)18-22-43(49)44-23-19-38(30-50(44)64)66-36-17-21-42-40-11-3-5-13-46(40)63(48(42)28-36)52-15-7-9-25-59-52;1-32(53(54,55)56)33-30-59-52(60-31-33)63-48-28-36(64-34-16-20-40-38-10-2-4-12-44(38)61(46(40)26-34)50-14-6-8-24-57-50)18-22-42(48)43-23-19-37(29-49(43)63)65-35-17-21-41-39-11-3-5-13-45(39)62(47(41)27-35)51-15-7-9-25-58-51;1-2-33-31-55-52(56-32-33)59-48-29-36(60-34-17-21-40-38-11-3-5-13-44(38)57(46(40)27-34)50-15-7-9-25-53-50)19-23-42(48)43-24-20-37(30-49(43)59)61-35-18-22-41-39-12-4-6-14-45(39)58(47(41)28-35)51-16-8-10-26-54-51;;;;;;;;/h2-25,31-33H,30H2,1H3;2-25,31-33H,26H2,1H3;2-25,30-32H,1H3;3-26,31-32H,2H2,1H3;;;;;;;;/q4*-4;8*+2
InChIKeyNGNLBHPRJQZLDL-UHFFFAOYSA-N
MW4226.87 g/mol
LogP51.38
Rot. Bonds34

About 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 160821379) has the molecular formula C213H125F9N28O8Pd8 and a molecular weight of 4226.87 g/mol. Its IUPAC name is 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

Compound Name2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
PubChem CID160821379
Molecular FormulaC213H125F9N28O8Pd8
Molecular Weight4226.87 g/mol
Exact Mass4220.24
IUPAC Name2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCC(CC(F)(F)F)c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.CC(Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1)C(F)(F)F.CC(c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1)C(F)(F)F.CCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C54H32F3N7O2.C53H30F3N7O2.C52H31N7O2.8Pd/c1-33(30-54(55,56)57)34-31-60-53(61-32-34)64-49-28-37(65-35-16-20-41-39-10-2-4-12-45(39)62(47(41)26-35)51-14-6-8-24-58-51)18-22-43(49)44-23-19-38(29-50(44)64)66-36-17-21-42-40-11-3-5-13-46(40)63(48(42)27-36)52-15-7-9-25-59-52;1-33(54(55,56)57)26-34-31-60-53(61-32-34)64-49-29-37(65-35-16-20-41-39-10-2-4-12-45(39)62(47(41)27-35)51-14-6-8-24-58-51)18-22-43(49)44-23-19-38(30-50(44)64)66-36-17-21-42-40-11-3-5-13-46(40)63(48(42)28-36)52-15-7-9-25-59-52;1-32(53(54,55)56)33-30-59-52(60-31-33)63-48-28-36(64-34-16-20-40-38-10-2-4-12-44(38)61(46(40)26-34)50-14-6-8-24-57-50)18-22-42(48)43-23-19-37(29-49(43)63)65-35-17-21-41-39-11-3-5-13-45(39)62(47(41)27-35)51-15-7-9-25-58-51;1-2-33-31-55-52(56-32-33)59-48-29-36(60-34-17-21-40-38-11-3-5-13-44(38)57(46(40)27-34)50-15-7-9-25-53-50)19-23-42(48)43-24-20-37(30-49(43)59)61-35-18-22-41-39-12-4-6-14-45(39)58(47(41)28-35)51-16-8-10-26-54-51;;;;;;;;/h2-25,31-33H,30H2,1H3;2-25,31-33H,26H2,1H3;2-25,30-32H,1H3;3-26,31-32H,2H2,1H3;;;;;;;;/q4*-4;8*+2
InChIKeyNGNLBHPRJQZLDL-UHFFFAOYSA-N
XLogP51.38
TPSA339.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004226.87
LogP ≤ 551.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) with MolForge

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Related Compounds

2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760985
2,7-bis[[9-pyridin-2-yl-4-(2,2,2-trifluoroethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761007
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[6-(trifluoromethyl)-1,2,4,5-tetrazin-3-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761050
9-[2-[2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]pyrido[2,3-b]indole;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-carbazol-9-ylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(difluoromethyl)pyrimidin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 157124881
2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;9-isoquinolin-1-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;6-methyl-9-(4-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-quinolin-2-yl-1H-carbazol-1-ide
CID 157200701
2,7-Bis[[3-(4,6-difluoro-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4,6-dimethyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-(3-methyl-2-pyridinyl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;2-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[5-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))
CID 157290947
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157373883
3,6-Ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))
CID 157411315
5-[6-[2-(6-Pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 157470388
2-[3-[5-[3-[[9-(3-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-[3-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-[5-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;hexakis(palladium(2+))
CID 157509257
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157540485

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The IUPAC name of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 160821379) is 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).
What is the SMILES notation for 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The canonical SMILES for 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is CC(CC(F)(F)F)c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.CC(Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1)C(F)(F)F.CC(c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1)C(F)(F)F.CCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The InChIKey is NGNLBHPRJQZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32F3N7O2.C53H30F3N7O2.C52H31N7O2.8Pd/c1-33(30-54(55,56)57)34-31-60-53(61-32-34)64-49-28-37(65-35-16-20-41-39-10-2-4-12-45(39)62(47(41)26-35)51-14-6-8-24-58-51)18-22-43(49)44-23-19-38(29-50(44)64)66-36-17-21-42-40-11-3-5-13-46(40)63(48(42)27-36)52-15-7-9-25-59-52;1-33(54(55,56)57)26-34-31-60-53(61-32-34)64-49-29-37(65-35-16-20-41-39-10-2-4-12-45(39)62(47(41)27-35)51-14-6-8-24-58-51)18-22-43(49)44-23-19-38(30-50(44)64)66-36-17-21-42-40-11-3-5-13-46(40)63(48(42)28-36)52-15-7-9-25-59-52;1-32(53(54,55)56)33-30-59-52(60-31-33)63-48-28-36(64-34-16-20-40-38-10-2-4-12-44(38)61(46(40)26-34)50-14-6-8-24-57-50)18-22-42(48)43-23-19-37(29-49(43)63)65-35-17-21-41-39-11-3-5-13-45(39)62(47(41)27-35)51-15-7-9-25-58-51;1-2-33-31-55-52(56-32-33)59-48-29-36(60-34-17-21-40-38-11-3-5-13-44(38)57(46(40)27-34)50-15-7-9-25-53-50)19-23-42(48)43-24-20-37(30-49(43)59)61-35-18-22-41-39-12-4-6-14-45(39)58(47(41)28-35)51-16-8-10-26-54-51;;;;;;;;/h2-25,31-33H,30H2,1H3;2-25,31-33H,26H2,1H3;2-25,30-32H,1H3;3-26,31-32H,2H2,1H3;;;;;;;;/q4*-4;8*+2.
What are the key properties of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 4226.87 g/mol, XLogP of 51.38, 34 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 160821379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).