2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C230H158N12O3Pt3-6 — CID 159188596

IUPAC2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3cccc(-c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c4[2H])c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C([2H])([2H])[2H])c(C)cn5)ccc4)c4ccccc43)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])c([2H])c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])c7[2H])cccc6-c6c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c(-c7c([2H])c([2H])c([2H])c(C)c7[2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C([2H])([2H])[2H])c1C.[2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c(-c8ccccc8)c([2H])c(-c8ccccc8)c7[2H])cccc6-c6c([2H])c(-c7ccccc7)c([2H])c(-c7ccccc7)c6[2H])c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c([2H])c(C([2H])([2H])[2H])c1C.[Pt].[Pt].[Pt]
InChIInChI=1S/C80H54N4O.2C75H52N4O.3Pt/c1-54-42-79(81-52-55(54)2)84-75-41-38-61(56-22-8-3-9-23-56)49-74(75)73-40-39-70(51-78(73)84)85-69-33-20-32-68(50-69)82-53-83(77-37-19-18-36-76(77)82)80-71(66-45-62(57-24-10-4-11-25-57)43-63(46-66)58-26-12-5-13-27-58)34-21-35-72(80)67-47-64(59-28-14-6-15-29-59)44-65(48-67)60-30-16-7-17-31-60;2*1-50-20-17-27-56(38-50)60-41-59(55-25-11-6-12-26-55)44-62(45-60)67-32-19-31-66(61-42-57(53-21-7-4-8-22-53)40-58(43-61)54-23-9-5-10-24-54)75(67)78-49-77(71-34-15-16-35-72(71)78)63-28-18-29-64(46-63)80-65-36-37-69-68-30-13-14-33-70(68)79(73(69)47-65)74-39-51(2)52(3)48-76-74;;;/h3-49,52H,1-2H3;2*4-45,48H,1-3H3;;;/q3*-2;;;/i1D3,42D,43D,44D,45D,46D,47D,48D,52D;2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,20D,21D,22D,23D,24D,25D,26D,27D,38D,39D,40D,41D,42D,43D,44D,45D,48D;2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,20D,21D,22D,23D,24D,25D,26D,27D,38D,40D,41D,42D,43D,44D,45D;;;
InChIKeyXVQBKIFNBUGOIB-SENPBSJMSA-N
MW3792.53 g/mol
LogP56.91
Rot. Bonds37

About 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 159188596) has the molecular formula C230H158N12O3Pt3-6 and a molecular weight of 3792.53 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID159188596
Molecular FormulaC230H158N12O3Pt3-6
Molecular Weight3792.53 g/mol
Exact Mass3789.59
IUPAC Name2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3cccc(-c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c4[2H])c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C([2H])([2H])[2H])c(C)cn5)ccc4)c4ccccc43)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])c([2H])c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])c7[2H])cccc6-c6c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c(-c7c([2H])c([2H])c([2H])c(C)c7[2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C([2H])([2H])[2H])c1C.[2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c(-c8ccccc8)c([2H])c(-c8ccccc8)c7[2H])cccc6-c6c([2H])c(-c7ccccc7)c([2H])c(-c7ccccc7)c6[2H])c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c([2H])c(C([2H])([2H])[2H])c1C.[Pt].[Pt].[Pt]
InChIInChI=1S/C80H54N4O.2C75H52N4O.3Pt/c1-54-42-79(81-52-55(54)2)84-75-41-38-61(56-22-8-3-9-23-56)49-74(75)73-40-39-70(51-78(73)84)85-69-33-20-32-68(50-69)82-53-83(77-37-19-18-36-76(77)82)80-71(66-45-62(57-24-10-4-11-25-57)43-63(46-66)58-26-12-5-13-27-58)34-21-35-72(80)67-47-64(59-28-14-6-15-29-59)44-65(48-67)60-30-16-7-17-31-60;2*1-50-20-17-27-56(38-50)60-41-59(55-25-11-6-12-26-55)44-62(45-60)67-32-19-31-66(61-42-57(53-21-7-4-8-22-53)40-58(43-61)54-23-9-5-10-24-54)75(67)78-49-77(71-34-15-16-35-72(71)78)63-28-18-29-64(46-63)80-65-36-37-69-68-30-13-14-33-70(68)79(73(69)47-65)74-39-51(2)52(3)48-76-74;;;/h3-49,52H,1-2H3;2*4-45,48H,1-3H3;;;/q3*-2;;;/i1D3,42D,43D,44D,45D,46D,47D,48D,52D;2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,20D,21D,22D,23D,24D,25D,26D,27D,38D,39D,40D,41D,42D,43D,44D,45D,48D;2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,20D,21D,22D,23D,24D,25D,26D,27D,38D,40D,41D,42D,43D,44D,45D;;;
InChIKeyXVQBKIFNBUGOIB-SENPBSJMSA-N
XLogP56.91
TPSA107.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003792.53
LogP ≤ 556.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

2-[3-[6-(4-tert-butylphenyl)-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171426910
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1-phenylcarbazol-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 176797932
2-[3-[3-[4-tert-butyl-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171428307
2-[3-[3-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171427658
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171427526
9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171428441
[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426696
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 164931734
[3-[2-[5-[2,6-bis(trideuteriomethyl)phenyl]-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426781
2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 176797730
2-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171427106
3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
CID 158989102

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 159188596) is 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3cccc(-c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c4[2H])c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C([2H])([2H])[2H])c(C)cn5)ccc4)c4ccccc43)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])c([2H])c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])c7[2H])cccc6-c6c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c(-c7c([2H])c([2H])c([2H])c(C)c7[2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C([2H])([2H])[2H])c1C.[2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c(-c8ccccc8)c([2H])c(-c8ccccc8)c7[2H])cccc6-c6c([2H])c(-c7ccccc7)c([2H])c(-c7ccccc7)c6[2H])c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c([2H])c(C([2H])([2H])[2H])c1C.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is XVQBKIFNBUGOIB-SENPBSJMSA-N. The full InChI is InChI=1S/C80H54N4O.2C75H52N4O.3Pt/c1-54-42-79(81-52-55(54)2)84-75-41-38-61(56-22-8-3-9-23-56)49-74(75)73-40-39-70(51-78(73)84)85-69-33-20-32-68(50-69)82-53-83(77-37-19-18-36-76(77)82)80-71(66-45-62(57-24-10-4-11-25-57)43-63(46-66)58-26-12-5-13-27-58)34-21-35-72(80)67-47-64(59-28-14-6-15-29-59)44-65(48-67)60-30-16-7-17-31-60;2*1-50-20-17-27-56(38-50)60-41-59(55-25-11-6-12-26-55)44-62(45-60)67-32-19-31-66(61-42-57(53-21-7-4-8-22-53)40-58(43-61)54-23-9-5-10-24-54)75(67)78-49-77(71-34-15-16-35-72(71)78)63-28-18-29-64(46-63)80-65-36-37-69-68-30-13-14-33-70(68)79(73(69)47-65)74-39-51(2)52(3)48-76-74;;;/h3-49,52H,1-2H3;2*4-45,48H,1-3H3;;;/q3*-2;;;/i1D3,42D,43D,44D,45D,46D,47D,48D,52D;2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,20D,21D,22D,23D,24D,25D,26D,27D,38D,39D,40D,41D,42D,43D,44D,45D,48D;2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,20D,21D,22D,23D,24D,25D,26D,27D,38D,40D,41D,42D,43D,44D,45D;;;.
What are the key properties of 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 3792.53 g/mol, XLogP of 56.91, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[3,6-dideuterio-5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-methyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 159188596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).