2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))
C248H150N38O10Pt8 — CID 158826959
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-c7cocn7)cc6)cn5)ccc4-c4cocn4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7ccc8ccccc87)cc6)cn5)ccc4-n4ccc5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7ccnn7)cc6)cn5)ccc4-n4ccnn4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7cnc8ccccc87)cc6)cn5)ccc4-n4cnc5ccccc54)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C68H42N8O2.C66H40N10O2.C58H34N8O4.C56H34N12O2.8Pt/c1-43-27-31-69-67(35-43)75-59-17-9-5-13-51(59)53-23-21-49(39-63(53)75)77-65-37-47(19-25-61(65)73-33-29-45-11-3-7-15-57(45)73)55-41-72-56(42-71-55)48-20-26-62(74-34-30-46-12-4-8-16-58(46)74)66(38-48)78-50-22-24-54-52-14-6-10-18-60(52)76(64(54)40-50)68-36-44(2)28-32-70-68;1-41-27-29-67-65(31-41)75-55-15-7-3-11-47(55)49-23-21-45(35-61(49)75)77-63-33-43(19-25-59(63)73-39-71-51-13-5-9-17-57(51)73)53-37-70-54(38-69-53)44-20-26-60(74-40-72-52-14-6-10-18-58(52)74)64(34-44)78-46-22-24-50-48-12-4-8-16-56(48)76(62(50)36-46)66-32-42(2)28-30-68-66;1-35-19-21-59-57(23-35)65-51-9-5-3-7-41(51)43-17-13-39(27-53(43)65)69-55-25-37(11-15-45(55)49-31-67-33-63-49)47-29-62-48(30-61-47)38-12-16-46(50-32-68-34-64-50)56(26-38)70-40-14-18-44-42-8-4-6-10-52(42)66(54(44)28-40)58-24-36(2)20-22-60-58;1-35-19-21-57-55(27-35)67-47-9-5-3-7-41(47)43-15-13-39(31-51(43)67)69-53-29-37(11-17-49(53)65-25-23-61-63-65)45-33-60-46(34-59-45)38-12-18-50(66-26-24-62-64-66)54(30-38)70-40-14-16-44-42-8-4-6-10-48(42)68(52(44)32-40)56-28-36(2)20-22-58-56;;;;;;;;/h3-36,41-42H,1-2H3;3-32,37-40H,1-2H3;3-24,29-34H,1-2H3;3-28,33-34H,1-2H3;;;;;;;;/q4*-4;8*+2
InChIKeyXZSLOHIIDSJHHG-UHFFFAOYSA-N
MW5382.81 g/mol
LogP55.81
Rot. Bonds40
About 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))
2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) (PubChem CID 158826959) has the molecular formula C248H150N38O10Pt8 and a molecular weight of 5382.81 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)).
Molecular Properties
| Compound Name | 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) |
|---|---|
| PubChem CID | 158826959 |
| Molecular Formula | C248H150N38O10Pt8 |
| Molecular Weight | 5382.81 g/mol |
| Exact Mass | 5378.96 |
| IUPAC Name | 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) |
| SMILES | Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-c7cocn7)cc6)cn5)ccc4-c4cocn4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7ccc8ccccc87)cc6)cn5)ccc4-n4ccc5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7ccnn7)cc6)cn5)ccc4-n4ccnn4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7cnc8ccccc87)cc6)cn5)ccc4-n4cnc5ccccc54)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C68H42N8O2.C66H40N10O2.C58H34N8O4.C56H34N12O2.8Pt/c1-43-27-31-69-67(35-43)75-59-17-9-5-13-51(59)53-23-21-49(39-63(53)75)77-65-37-47(19-25-61(65)73-33-29-45-11-3-7-15-57(45)73)55-41-72-56(42-71-55)48-20-26-62(74-34-30-46-12-4-8-16-58(46)74)66(38-48)78-50-22-24-54-52-14-6-10-18-60(52)76(64(54)40-50)68-36-44(2)28-32-70-68;1-41-27-29-67-65(31-41)75-55-15-7-3-11-47(55)49-23-21-45(35-61(49)75)77-63-33-43(19-25-59(63)73-39-71-51-13-5-9-17-57(51)73)53-37-70-54(38-69-53)44-20-26-60(74-40-72-52-14-6-10-18-58(52)74)64(34-44)78-46-22-24-50-48-12-4-8-16-56(48)76(62(50)36-46)66-32-42(2)28-30-68-66;1-35-19-21-59-57(23-35)65-51-9-5-3-7-41(51)43-17-13-39(27-53(43)65)69-55-25-37(11-15-45(55)49-31-67-33-63-49)47-29-62-48(30-61-47)38-12-16-46(50-32-68-34-64-50)56(26-38)70-40-14-18-44-42-8-4-6-10-52(42)66(54(44)28-40)58-24-36(2)20-22-60-58;1-35-19-21-57-55(27-35)67-47-9-5-3-7-41(47)43-15-13-39(31-51(43)67)69-53-29-37(11-17-49(53)65-25-23-61-63-65)45-33-60-46(34-59-45)38-12-18-50(66-26-24-62-64-66)54(30-38)70-40-14-16-44-42-8-4-6-10-48(42)68(52(44)32-40)56-28-36(2)20-22-58-56;;;;;;;;/h3-36,41-42H,1-2H3;3-32,37-40H,1-2H3;3-24,29-34H,1-2H3;3-28,33-34H,1-2H3;;;;;;;;/q4*-4;8*+2 |
| InChIKey | XZSLOHIIDSJHHG-UHFFFAOYSA-N |
| XLogP | 55.81 |
| TPSA | 478.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 304 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5382.81 |
| LogP ≤ 5 | 55.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |
Frequently Asked Questions
What is the IUPAC name of 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))?
The IUPAC name of 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) (CID 158826959) is 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)).
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-c7cocn7)cc6)cn5)ccc4-c4cocn4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7ccc8ccccc87)cc6)cn5)ccc4-n4ccc5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7ccnn7)cc6)cn5)ccc4-n4ccnn4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7cnc8ccccc87)cc6)cn5)ccc4-n4cnc5ccccc54)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))?
The InChIKey is XZSLOHIIDSJHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N8O2.C66H40N10O2.C58H34N8O4.C56H34N12O2.8Pt/c1-43-27-31-69-67(35-43)75-59-17-9-5-13-51(59)53-23-21-49(39-63(53)75)77-65-37-47(19-25-61(65)73-33-29-45-11-3-7-15-57(45)73)55-41-72-56(42-71-55)48-20-26-62(74-34-30-46-12-4-8-16-58(46)74)66(38-48)78-50-22-24-54-52-14-6-10-18-60(52)76(64(54)40-50)68-36-44(2)28-32-70-68;1-41-27-29-67-65(31-41)75-55-15-7-3-11-47(55)49-23-21-45(35-61(49)75)77-63-33-43(19-25-59(63)73-39-71-51-13-5-9-17-57(51)73)53-37-70-54(38-69-53)44-20-26-60(74-40-72-52-14-6-10-18-58(52)74)64(34-44)78-46-22-24-50-48-12-4-8-16-56(48)76(62(50)36-46)66-32-42(2)28-30-68-66;1-35-19-21-59-57(23-35)65-51-9-5-3-7-41(51)43-17-13-39(27-53(43)65)69-55-25-37(11-15-45(55)49-31-67-33-63-49)47-29-62-48(30-61-47)38-12-16-46(50-32-68-34-64-50)56(26-38)70-40-14-18-44-42-8-4-6-10-52(42)66(54(44)28-40)58-24-36(2)20-22-60-58;1-35-19-21-57-55(27-35)67-47-9-5-3-7-41(47)43-15-13-39(31-51(43)67)69-53-29-37(11-17-49(53)65-25-23-61-63-65)45-33-60-46(34-59-45)38-12-18-50(66-26-24-62-64-66)54(30-38)70-40-14-16-44-42-8-4-6-10-48(42)68(52(44)32-40)56-28-36(2)20-22-58-56;;;;;;;;/h3-36,41-42H,1-2H3;3-32,37-40H,1-2H3;3-24,29-34H,1-2H3;3-28,33-34H,1-2H3;;;;;;;;/q4*-4;8*+2.
What are the key properties of 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))?
2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) has a molecular weight of 5382.81 g/mol, XLogP of 55.81, 40 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+)) is sourced from PubChem (CID 158826959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158826959 — identifiers, structure, computed properties (public domain)
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