2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))

C230H172N24O8Pd8 — CID 159657304

IUPAC2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))
SMILESCCCCc1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCc1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[2H]C([2H])([2H])c1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[2H]c1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C60H48N6O2.2C57H42N6O2.C56H40N6O2.8Pd/c1-5-7-21-51-59(41-15-13-17-43(35-41)67-45-25-27-49-47-19-9-11-23-53(47)65(55(49)37-45)57-33-39(3)29-31-61-57)64-52(22-8-6-2)60(63-51)42-16-14-18-44(36-42)68-46-26-28-50-48-20-10-12-24-54(48)66(56(50)38-46)58-34-40(4)30-32-62-58;2*1-5-6-19-49-57(40-14-12-16-42(33-40)65-44-23-25-48-46-18-8-10-21-51(46)63(53(48)35-44)55-31-37(3)27-29-59-55)60-38(4)56(61-49)39-13-11-15-41(32-39)64-43-22-24-47-45-17-7-9-20-50(45)62(52(47)34-43)54-30-36(2)26-28-58-54;1-4-5-18-48-56(39-13-11-15-41(32-39)64-43-22-24-47-45-17-7-9-20-51(45)62(53(47)34-43)55-30-37(3)26-28-58-55)59-35-49(60-48)38-12-10-14-40(31-38)63-42-21-23-46-44-16-6-8-19-50(44)61(52(46)33-42)54-29-36(2)25-27-57-54;;;;;;;;/h9-20,23-34H,5-8,21-22H2,1-4H3;2*7-18,20-31H,5-6,19H2,1-4H3;6-17,19-30,35H,4-5,18H2,1-3H3;;;;;;;;/q4*-4;8*+2/i;4D3;;35D;;;;;;;;
InChIKeyOAYSFTPVBNOZOK-HSWUIGGKSA-N
MW4255.45 g/mol
LogP56.10
Rot. Bonds48

About 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))

2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)) (PubChem CID 159657304) has the molecular formula C230H172N24O8Pd8 and a molecular weight of 4255.45 g/mol. Its IUPAC name is 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)).

Molecular Properties

Compound Name2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))
PubChem CID159657304
Molecular FormulaC230H172N24O8Pd8
Molecular Weight4255.45 g/mol
Exact Mass4248.63
IUPAC Name2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))
SMILESCCCCc1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCc1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[2H]C([2H])([2H])c1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[2H]c1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C60H48N6O2.2C57H42N6O2.C56H40N6O2.8Pd/c1-5-7-21-51-59(41-15-13-17-43(35-41)67-45-25-27-49-47-19-9-11-23-53(47)65(55(49)37-45)57-33-39(3)29-31-61-57)64-52(22-8-6-2)60(63-51)42-16-14-18-44(36-42)68-46-26-28-50-48-20-10-12-24-54(48)66(56(50)38-46)58-34-40(4)30-32-62-58;2*1-5-6-19-49-57(40-14-12-16-42(33-40)65-44-23-25-48-46-18-8-10-21-51(46)63(53(48)35-44)55-31-37(3)27-29-59-55)60-38(4)56(61-49)39-13-11-15-41(32-39)64-43-22-24-47-45-17-7-9-20-50(45)62(52(47)34-43)54-30-36(2)26-28-58-54;1-4-5-18-48-56(39-13-11-15-41(32-39)64-43-22-24-47-45-17-7-9-20-51(45)62(53(47)34-43)55-30-37(3)26-28-58-55)59-35-49(60-48)38-12-10-14-40(31-38)63-42-21-23-46-44-16-6-8-19-50(44)61(52(46)33-42)54-29-36(2)25-27-57-54;;;;;;;;/h9-20,23-34H,5-8,21-22H2,1-4H3;2*7-18,20-31H,5-6,19H2,1-4H3;6-17,19-30,35H,4-5,18H2,1-3H3;;;;;;;;/q4*-4;8*+2/i;4D3;;35D;;;;;;;;
InChIKeyOAYSFTPVBNOZOK-HSWUIGGKSA-N
XLogP56.10
TPSA319.52 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004255.45
LogP ≤ 556.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)) with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[3-butyl-6-ethyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-propylpyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-deuterio-6-methoxy-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dimethoxy-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methoxy-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;dodecakis(platinum(2+))
CID 158050723
bis(2-[3-[3,6-dimethyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[3-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))
CID 161251955
2-[3-[3-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dideuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dimethyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))
CID 160551555
2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153416871
2-[3-[5-butyl-3-methyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153416066
2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153415287
2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443311
2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153442898
9-(4-methyl-2-pyridinyl)-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-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazole;bis(palladium(2+))
CID 160782009
2-[3-[4-(2,6-dimethylphenyl)-3,5-bis(ethylsulfanyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153442846
2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443609
2-[3-[3,5-diethoxy-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443110

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))?
The IUPAC name of 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)) (CID 159657304) is 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)).
What is the SMILES notation for 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))?
The canonical SMILES for 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)) is CCCCc1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCc1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[2H]C([2H])([2H])c1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[2H]c1nc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)nc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))?
The InChIKey is OAYSFTPVBNOZOK-HSWUIGGKSA-N. The full InChI is InChI=1S/C60H48N6O2.2C57H42N6O2.C56H40N6O2.8Pd/c1-5-7-21-51-59(41-15-13-17-43(35-41)67-45-25-27-49-47-19-9-11-23-53(47)65(55(49)37-45)57-33-39(3)29-31-61-57)64-52(22-8-6-2)60(63-51)42-16-14-18-44(36-42)68-46-26-28-50-48-20-10-12-24-54(48)66(56(50)38-46)58-34-40(4)30-32-62-58;2*1-5-6-19-49-57(40-14-12-16-42(33-40)65-44-23-25-48-46-18-8-10-21-51(46)63(53(48)35-44)55-31-37(3)27-29-59-55)60-38(4)56(61-49)39-13-11-15-41(32-39)64-43-22-24-47-45-17-7-9-20-50(45)62(52(47)34-43)54-30-36(2)26-28-58-54;1-4-5-18-48-56(39-13-11-15-41(32-39)64-43-22-24-47-45-17-7-9-20-51(45)62(53(47)34-43)55-30-37(3)26-28-58-55)59-35-49(60-48)38-12-10-14-40(31-38)63-42-21-23-46-44-16-6-8-19-50(44)61(52(46)33-42)54-29-36(2)25-27-57-54;;;;;;;;/h9-20,23-34H,5-8,21-22H2,1-4H3;2*7-18,20-31H,5-6,19H2,1-4H3;6-17,19-30,35H,4-5,18H2,1-3H3;;;;;;;;/q4*-4;8*+2/i;4D3;;35D;;;;;;;;.
What are the key properties of 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+))?
2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)) has a molecular weight of 4255.45 g/mol, XLogP of 56.10, 48 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-butyl-6-deuterio-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-6-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-butyl-5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(trideuteriomethyl)pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,6-dibutyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(palladium(2+)) is sourced from PubChem (CID 159657304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).