3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile

C232H161N35O4Pt5Si — CID 162168408

IUPAC3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile
SMILESCc1cc(C)c(-n2ccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccncc4n5-c4ccccn4)ccc3c3ccncc32)c(C)c1.Cc1cc(C)c(-n2ccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4C#N)c4ccccc4n5-c4nccn4-c4c(C)cc(C)cc4C)ccc3c3ccccc32)c(C)c1.Cc1cccc(C)c1-n1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cn3)c3ccccc3n4-c3ccccn3)ncc2c2ccccc21.[C-]#[N+]c1cc2c3ccccc3n(-c3nccn3-c3c(C)cc(C)cc3C)c2[c-]c1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(cc1C#N)c1ccccc1n2-c1nccn1-c1c(C)cc(C)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(nc2)c2ccccc2n3-c2ccc(-c3ccccc3)cn2)ccc2c3ccncc3n(-c3ccc(-c4ccccc4)cn3)c12
InChIInChI=1S/C62H46N8Si.C49H37N7O.C44H26N6O.C39H27N7O.C38H25N7O.5Pt/c1-39-30-41(3)59(42(4)31-39)67-28-26-65-61(67)69-53-24-16-14-22-48(53)50-34-45(38-63)57(36-55(50)69)71(46-18-10-8-11-19-46,47-20-12-9-13-21-47)58-37-56-51(35-52(58)64-7)49-23-15-17-25-54(49)70(56)62-66-27-29-68(62)60-43(5)32-40(2)33-44(60)6;1-29-21-31(3)46(32(4)22-29)53-19-17-51-48(53)55-41-13-9-7-11-37(41)39-16-15-36(26-43(39)55)57-45-27-44-40(25-35(45)28-50)38-12-8-10-14-42(38)56(44)49-52-18-20-54(49)47-33(5)23-30(2)24-34(47)6;1-3-9-29(10-4-1)31-15-19-42(46-25-31)49-38-14-8-7-13-37(38)44-40(49)24-34(27-48-44)51-33-17-18-35-36-21-22-45-28-41(36)50(39(35)23-33)43-20-16-32(26-47-43)30-11-5-2-6-12-30;1-24-18-25(2)38(26(3)19-24)44-17-16-43-39(44)46-34-21-28(8-10-30(34)32-12-15-41-23-36(32)46)47-27-7-9-29-31-11-14-40-22-35(31)45(33(29)20-27)37-6-4-5-13-42-37;1-24-10-9-11-25(2)37(24)43-19-18-40-38(43)45-31-15-6-4-13-27(31)29-23-42-36(21-33(29)45)46-35-20-32-28(22-41-35)26-12-3-5-14-30(26)44(32)34-16-7-8-17-39-34;;;;;/h8-35H,1-6H3;7-25H,1-6H3;1-22,25-28H;4-19,22-23H,1-3H3;3-19,22-23H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyNMYZYMHZLKSOGW-UHFFFAOYSA-N
MW4506.56 g/mol
LogP49.88
Rot. Bonds30

About 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile

3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile (PubChem CID 162168408) has the molecular formula C232H161N35O4Pt5Si and a molecular weight of 4506.56 g/mol. Its IUPAC name is 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile.

Molecular Properties

Compound Name3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile
PubChem CID162168408
Molecular FormulaC232H161N35O4Pt5Si
Molecular Weight4506.56 g/mol
Exact Mass4503.15
IUPAC Name3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile
SMILESCc1cc(C)c(-n2ccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccncc4n5-c4ccccn4)ccc3c3ccncc32)c(C)c1.Cc1cc(C)c(-n2ccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4C#N)c4ccccc4n5-c4nccn4-c4c(C)cc(C)cc4C)ccc3c3ccccc32)c(C)c1.Cc1cccc(C)c1-n1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cn3)c3ccccc3n4-c3ccccn3)ncc2c2ccccc21.[C-]#[N+]c1cc2c3ccccc3n(-c3nccn3-c3c(C)cc(C)cc3C)c2[c-]c1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(cc1C#N)c1ccccc1n2-c1nccn1-c1c(C)cc(C)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(nc2)c2ccccc2n3-c2ccc(-c3ccccc3)cn2)ccc2c3ccncc3n(-c3ccc(-c4ccccc4)cn3)c12
InChIInChI=1S/C62H46N8Si.C49H37N7O.C44H26N6O.C39H27N7O.C38H25N7O.5Pt/c1-39-30-41(3)59(42(4)31-39)67-28-26-65-61(67)69-53-24-16-14-22-48(53)50-34-45(38-63)57(36-55(50)69)71(46-18-10-8-11-19-46,47-20-12-9-13-21-47)58-37-56-51(35-52(58)64-7)49-23-15-17-25-54(49)70(56)62-66-27-29-68(62)60-43(5)32-40(2)33-44(60)6;1-29-21-31(3)46(32(4)22-29)53-19-17-51-48(53)55-41-13-9-7-11-37(41)39-16-15-36(26-43(39)55)57-45-27-44-40(25-35(45)28-50)38-12-8-10-14-42(38)56(44)49-52-18-20-54(49)47-33(5)23-30(2)24-34(47)6;1-3-9-29(10-4-1)31-15-19-42(46-25-31)49-38-14-8-7-13-37(38)44-40(49)24-34(27-48-44)51-33-17-18-35-36-21-22-45-28-41(36)50(39(35)23-33)43-20-16-32(26-47-43)30-11-5-2-6-12-30;1-24-18-25(2)38(26(3)19-24)44-17-16-43-39(44)46-34-21-28(8-10-30(34)32-12-15-41-23-36(32)46)47-27-7-9-29-31-11-14-40-22-35(31)45(33(29)20-27)37-6-4-5-13-42-37;1-24-10-9-11-25(2)37(24)43-19-18-40-38(43)45-31-15-6-4-13-27(31)29-23-42-36(21-33(29)45)46-35-20-32-28(22-41-35)26-12-3-5-14-30(26)44(32)34-16-7-8-17-39-34;;;;;/h8-35H,1-6H3;7-25H,1-6H3;1-22,25-28H;4-19,22-23H,1-3H3;3-19,22-23H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyNMYZYMHZLKSOGW-UHFFFAOYSA-N
XLogP49.88
TPSA373.98 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004506.56
LogP ≤ 549.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile with MolForge

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Related Compounds

9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile
CID 140906158
2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155635929
2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155623027
7-[3-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
CID 155635776
3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
CID 153411601
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155635947
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 168799780
2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 168798816
4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum
CID 162465198
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 168799849

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile?
The IUPAC name of 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile (CID 162168408) is 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile.
What is the SMILES notation for 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile?
The canonical SMILES for 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile is Cc1cc(C)c(-n2ccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccncc4n5-c4ccccn4)ccc3c3ccncc32)c(C)c1.Cc1cc(C)c(-n2ccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4C#N)c4ccccc4n5-c4nccn4-c4c(C)cc(C)cc4C)ccc3c3ccccc32)c(C)c1.Cc1cccc(C)c1-n1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cn3)c3ccccc3n4-c3ccccn3)ncc2c2ccccc21.[C-]#[N+]c1cc2c3ccccc3n(-c3nccn3-c3c(C)cc(C)cc3C)c2[c-]c1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(cc1C#N)c1ccccc1n2-c1nccn1-c1c(C)cc(C)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(nc2)c2ccccc2n3-c2ccc(-c3ccccc3)cn2)ccc2c3ccncc3n(-c3ccc(-c4ccccc4)cn3)c12.
What is the InChIKey of 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile?
The InChIKey is NMYZYMHZLKSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N8Si.C49H37N7O.C44H26N6O.C39H27N7O.C38H25N7O.5Pt/c1-39-30-41(3)59(42(4)31-39)67-28-26-65-61(67)69-53-24-16-14-22-48(53)50-34-45(38-63)57(36-55(50)69)71(46-18-10-8-11-19-46,47-20-12-9-13-21-47)58-37-56-51(35-52(58)64-7)49-23-15-17-25-54(49)70(56)62-66-27-29-68(62)60-43(5)32-40(2)33-44(60)6;1-29-21-31(3)46(32(4)22-29)53-19-17-51-48(53)55-41-13-9-7-11-37(41)39-16-15-36(26-43(39)55)57-45-27-44-40(25-35(45)28-50)38-12-8-10-14-42(38)56(44)49-52-18-20-54(49)47-33(5)23-30(2)24-34(47)6;1-3-9-29(10-4-1)31-15-19-42(46-25-31)49-38-14-8-7-13-37(38)44-40(49)24-34(27-48-44)51-33-17-18-35-36-21-22-45-28-41(36)50(39(35)23-33)43-20-16-32(26-47-43)30-11-5-2-6-12-30;1-24-18-25(2)38(26(3)19-24)44-17-16-43-39(44)46-34-21-28(8-10-30(34)32-12-15-41-23-36(32)46)47-27-7-9-29-31-11-14-40-22-35(31)45(33(29)20-27)37-6-4-5-13-42-37;1-24-10-9-11-25(2)37(24)43-19-18-40-38(43)45-31-15-6-4-13-27(31)29-23-42-36(21-33(29)45)46-35-20-32-28(22-41-35)26-12-3-5-14-30(26)44(32)34-16-7-8-17-39-34;;;;;/h8-35H,1-6H3;7-25H,1-6H3;1-22,25-28H;4-19,22-23H,1-3H3;3-19,22-23H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile?
3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile has a molecular weight of 4506.56 g/mol, XLogP of 49.88, 30 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile is sourced from PubChem (CID 162168408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).