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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum

C202H157N13O3Pt3-6 — CID 158255338

IUPAC2-[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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc(C(C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4c(C([2H])([2H])[2H])cccc4C([2H])([2H])[2H])ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc(C(C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(-c4ccccc4)cc32)c([2H])c1[2H].[Pt].[Pt].[Pt]
InChIInChI=1S/C70H49N5O.C70H58N4O.C62H50N4O.3Pt/c1-70(2,3)51-39-40-71-68(42-51)75-64-38-34-53(74-62-31-15-13-27-58(62)59-28-14-16-32-63(59)74)44-61(64)60-36-35-55(45-66(60)75)76-54-26-17-25-52(43-54)72-46-73(67-41-50(33-37-65(67)72)47-19-7-4-8-20-47)69-56(48-21-9-5-10-22-48)29-18-30-57(69)49-23-11-6-12-24-49;1-46-18-15-19-47(2)67(46)52-31-37-63-65(41-52)72(45-73(63)68-58(49-20-11-9-12-21-49)26-17-27-59(68)50-22-13-10-14-23-50)55-24-16-25-56(43-55)75-57-34-35-60-61-40-51(48-28-32-53(33-29-48)69(3,4)5)30-36-62(61)74(64(60)44-57)66-42-54(38-39-71-66)70(6,7)8;1-61(2,3)46-30-27-42(28-31-46)45-29-34-55-54(37-45)53-33-32-50(40-58(53)66(55)59-38-47(35-36-63-59)62(4,5)6)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;;;/h4-42,44H,1-3H3;9-42H,1-8H3;7-38H,1-6H3;;;/q3*-2;;;/i5D,6D,9D,10D,11D,12D,21D,22D,23D,24D;1D3,2D3,9D,10D,11D,12D,13D,14D,20D,21D,22D,23D;7D,8D,9D,10D,11D,12D,17D,18D,19D,20D;;;
InChIKeyYWWKQXBOZNMMLR-NARZKLFISA-N
MW3436.02 g/mol
LogP49.64
Rot. Bonds28

About 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum

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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum (PubChem CID 158255338) has the molecular formula C202H157N13O3Pt3-6 and a molecular weight of 3436.02 g/mol. Its IUPAC name is 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum
PubChem CID158255338
Molecular FormulaC202H157N13O3Pt3-6
Molecular Weight3436.02 g/mol
Exact Mass3433.38
IUPAC Name2-[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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc(C(C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4c(C([2H])([2H])[2H])cccc4C([2H])([2H])[2H])ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc(C(C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(-c4ccccc4)cc32)c([2H])c1[2H].[Pt].[Pt].[Pt]
InChIInChI=1S/C70H49N5O.C70H58N4O.C62H50N4O.3Pt/c1-70(2,3)51-39-40-71-68(42-51)75-64-38-34-53(74-62-31-15-13-27-58(62)59-28-14-16-32-63(59)74)44-61(64)60-36-35-55(45-66(60)75)76-54-26-17-25-52(43-54)72-46-73(67-41-50(33-37-65(67)72)47-19-7-4-8-20-47)69-56(48-21-9-5-10-22-48)29-18-30-57(69)49-23-11-6-12-24-49;1-46-18-15-19-47(2)67(46)52-31-37-63-65(41-52)72(45-73(63)68-58(49-20-11-9-12-21-49)26-17-27-59(68)50-22-13-10-14-23-50)55-24-16-25-56(43-55)75-57-34-35-60-61-40-51(48-28-32-53(33-29-48)69(3,4)5)30-36-62(61)74(64(60)44-57)66-42-54(38-39-71-66)70(6,7)8;1-61(2,3)46-30-27-42(28-31-46)45-29-34-55-54(37-45)53-33-32-50(40-58(53)66(55)59-38-47(35-36-63-59)62(4,5)6)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;;;/h4-42,44H,1-3H3;9-42H,1-8H3;7-38H,1-6H3;;;/q3*-2;;;/i5D,6D,9D,10D,11D,12D,21D,22D,23D,24D;1D3,2D3,9D,10D,11D,12D,13D,14D,20D,21D,22D,23D;7D,8D,9D,10D,11D,12D,17D,18D,19D,20D;;;
InChIKeyYWWKQXBOZNMMLR-NARZKLFISA-N
XLogP49.64
TPSA112.51 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003436.02
LogP ≤ 549.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-(3,5-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 165161442
2-[3-[6-[2,6-bis(trideuteriomethyl)phenyl]-3-[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-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171426820
2-[3-[6-[2,6-bis(trideuteriomethyl)phenyl]-3-[2-tert-butyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171428373
[2-[5-[2,6-bis(trideuteriomethyl)phenyl]-3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171427238
2-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171427017
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171428463
2-[3-[6-[2,6-bis(trideuteriomethyl)phenyl]-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-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171428505
[4-[7-[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-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum
CID 168743642
[3-[7-[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-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum
CID 155657266
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-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171428323
2-[3-[6-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171428265
6-carbazol-9-yl-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171609299

Frequently Asked Questions

What is the IUPAC name of 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?
The IUPAC name of 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum (CID 158255338) is 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc(C(C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4c(C([2H])([2H])[2H])cccc4C([2H])([2H])[2H])ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc(C(C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(-c4ccccc4)cc32)c([2H])c1[2H].[Pt].[Pt].[Pt].
What is the InChIKey of 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?
The InChIKey is YWWKQXBOZNMMLR-NARZKLFISA-N. The full InChI is InChI=1S/C70H49N5O.C70H58N4O.C62H50N4O.3Pt/c1-70(2,3)51-39-40-71-68(42-51)75-64-38-34-53(74-62-31-15-13-27-58(62)59-28-14-16-32-63(59)74)44-61(64)60-36-35-55(45-66(60)75)76-54-26-17-25-52(43-54)72-46-73(67-41-50(33-37-65(67)72)47-19-7-4-8-20-47)69-56(48-21-9-5-10-22-48)29-18-30-57(69)49-23-11-6-12-24-49;1-46-18-15-19-47(2)67(46)52-31-37-63-65(41-52)72(45-73(63)68-58(49-20-11-9-12-21-49)26-17-27-59(68)50-22-13-10-14-23-50)55-24-16-25-56(43-55)75-57-34-35-60-61-40-51(48-28-32-53(33-29-48)69(3,4)5)30-36-62(61)74(64(60)44-57)66-42-54(38-39-71-66)70(6,7)8;1-61(2,3)46-30-27-42(28-31-46)45-29-34-55-54(37-45)53-33-32-50(40-58(53)66(55)59-38-47(35-36-63-59)62(4,5)6)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;;;/h4-42,44H,1-3H3;9-42H,1-8H3;7-38H,1-6H3;;;/q3*-2;;;/i5D,6D,9D,10D,11D,12D,21D,22D,23D,24D;1D3,2D3,9D,10D,11D,12D,13D,14D,20D,21D,22D,23D;7D,8D,9D,10D,11D,12D,17D,18D,19D,20D;;;.
What are the key properties of 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?
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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum has a molecular weight of 3436.02 g/mol, XLogP of 49.64, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 158255338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).