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

C187H177N12O4Pt3-9 — CID 163454731

IUPAC2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc5c4oc4ccccc45)ccc3c3ccccc32)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4-c4c(C)cc(C(C)(C)C)cc4C([2H])([2H])[2H])ccc3c3ccccc32)c1.[2H]C([2H])([2H])c1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(C)cc(C(C)(C)C)cc5C([2H])([2H])[2H])ccn4)ccc3)c3ccccc32)c(C([2H])([2H])[2H])c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C68H61N4O2.C68H71N4O.C51H45N4O.3Pt/c1-42-31-45(66(3,4)5)32-43(2)64(42)54-39-63(69-40-56(54)44-21-13-12-14-22-44)72-57-25-17-15-23-51(57)52-30-29-50(38-60(52)72)73-62-37-49(36-55-53-24-16-20-28-61(53)74-65(55)62)71-41-70(58-26-18-19-27-59(58)71)48-34-46(67(6,7)8)33-47(35-48)68(9,10)11;1-42-31-47(65(5,6)7)32-43(2)63(42)46-29-30-69-62(35-46)72-57-22-18-17-21-54(57)55-28-26-53(40-60(55)72)73-61-39-51(25-27-56(61)64-44(3)33-48(34-45(64)4)66(8,9)10)70-41-71(59-24-20-19-23-58(59)70)52-37-49(67(11,12)13)36-50(38-52)68(14,15)16;1-32-24-35(4)50(36(5)25-32)54-31-53(45-18-11-12-19-46(45)54)39-14-13-15-40(29-39)56-41-20-21-43-42-16-9-10-17-44(42)55(47(43)30-41)48-28-37(22-23-52-48)49-33(2)26-38(27-34(49)3)51(6,7)8;;;/h12-36,39-41H,1-11H3;17-38,41H,1-16H3;9-28,31H,1-8H3;;;/q3*-3;;;/i1D3;1D3,3D3;1D3,2D3,4D3;;;
InChIKeyIVVWIINVOSHEJI-BCKLPYSJSA-N
MW3259.90 g/mol
LogP50.94
Rot. Bonds26

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

2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 163454731) has the molecular formula C187H177N12O4Pt3-9 and a molecular weight of 3259.90 g/mol. Its IUPAC name is 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID163454731
Molecular FormulaC187H177N12O4Pt3-9
Molecular Weight3259.90 g/mol
Exact Mass3257.41
IUPAC Name2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc5c4oc4ccccc45)ccc3c3ccccc32)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4-c4c(C)cc(C(C)(C)C)cc4C([2H])([2H])[2H])ccc3c3ccccc32)c1.[2H]C([2H])([2H])c1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(C)cc(C(C)(C)C)cc5C([2H])([2H])[2H])ccn4)ccc3)c3ccccc32)c(C([2H])([2H])[2H])c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C68H61N4O2.C68H71N4O.C51H45N4O.3Pt/c1-42-31-45(66(3,4)5)32-43(2)64(42)54-39-63(69-40-56(54)44-21-13-12-14-22-44)72-57-25-17-15-23-51(57)52-30-29-50(38-60(52)72)73-62-37-49(36-55-53-24-16-20-28-61(53)74-65(55)62)71-41-70(58-26-18-19-27-59(58)71)48-34-46(67(6,7)8)33-47(35-48)68(9,10)11;1-42-31-47(65(5,6)7)32-43(2)63(42)46-29-30-69-62(35-46)72-57-22-18-17-21-54(57)55-28-26-53(40-60(55)72)73-61-39-51(25-27-56(61)64-44(3)33-48(34-45(64)4)66(8,9)10)70-41-71(59-24-20-19-23-58(59)70)52-37-49(67(11,12)13)36-50(38-52)68(14,15)16;1-32-24-35(4)50(36(5)25-32)54-31-53(45-18-11-12-19-46(45)54)39-14-13-15-40(29-39)56-41-20-21-43-42-16-9-10-17-44(42)55(47(43)30-41)48-28-37(22-23-52-48)49-33(2)26-38(27-34(49)3)51(6,7)8;;;/h12-36,39-41H,1-11H3;17-38,41H,1-16H3;9-28,31H,1-8H3;;;/q3*-3;;;/i1D3;1D3,3D3;1D3,2D3,4D3;;;
InChIKeyIVVWIINVOSHEJI-BCKLPYSJSA-N
XLogP50.94
TPSA113.73 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003259.90
LogP ≤ 550.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Launch Full Analysis

Related Compounds

2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
CID 163993625
9-(4-tert-butyl-2-pyridinyl)-2-[[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
CID 162445660
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176783666
2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 164727287
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 163956663
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-ditert-butyl-4-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176783738
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 177083036
9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168780750
9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
CID 164788651
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
CID 164726843
9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 164727274
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum
CID 176782964

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 163454731) is 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc5c4oc4ccccc45)ccc3c3ccccc32)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4-c4c(C)cc(C(C)(C)C)cc4C([2H])([2H])[2H])ccc3c3ccccc32)c1.[2H]C([2H])([2H])c1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(C)cc(C(C)(C)C)cc5C([2H])([2H])[2H])ccn4)ccc3)c3ccccc32)c(C([2H])([2H])[2H])c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is IVVWIINVOSHEJI-BCKLPYSJSA-N. The full InChI is InChI=1S/C68H61N4O2.C68H71N4O.C51H45N4O.3Pt/c1-42-31-45(66(3,4)5)32-43(2)64(42)54-39-63(69-40-56(54)44-21-13-12-14-22-44)72-57-25-17-15-23-51(57)52-30-29-50(38-60(52)72)73-62-37-49(36-55-53-24-16-20-28-61(53)74-65(55)62)71-41-70(58-26-18-19-27-59(58)71)48-34-46(67(6,7)8)33-47(35-48)68(9,10)11;1-42-31-47(65(5,6)7)32-43(2)63(42)46-29-30-69-62(35-46)72-57-22-18-17-21-54(57)55-28-26-53(40-60(55)72)73-61-39-51(25-27-56(61)64-44(3)33-48(34-45(64)4)66(8,9)10)70-41-71(59-24-20-19-23-58(59)70)52-37-49(67(11,12)13)36-50(38-52)68(14,15)16;1-32-24-35(4)50(36(5)25-32)54-31-53(45-18-11-12-19-46(45)54)39-14-13-15-40(29-39)56-41-20-21-43-42-16-9-10-17-44(42)55(47(43)30-41)48-28-37(22-23-52-48)49-33(2)26-38(27-34(49)3)51(6,7)8;;;/h12-36,39-41H,1-11H3;17-38,41H,1-16H3;9-28,31H,1-8H3;;;/q3*-3;;;/i1D3;1D3,3D3;1D3,2D3,4D3;;;.
What are the key properties of 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 3259.90 g/mol, XLogP of 50.94, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-[2-methyl-4,6-bis(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163454731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).