2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

C194H196N9O3Pt3-3 — CID 157067860

IUPAC2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
SMILES[2H]C(C)(C)c1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1C(C)(C)C.[2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)C)cc(C(C)C)c4O)n5-c4ccc(-c5ccccc5C(C)(C)C)c(C([2H])(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3ccc(-c4ccccc4C(C)(C)C)c(C([2H])(C)C)c3)cc(C(C)(C)C)c2)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C67H62N3O.C64H64N3O.C63H70N3O.3Pt/c1-42(2)50-38-59(44(5)6)65(71)60(39-50)66-69-64-55(24-18-26-63(64)70(66)54-31-32-56(58(41-54)43(3)4)57-23-16-17-25-61(57)67(7,8)9)52-35-51(46-21-14-11-15-22-46)36-53(37-52)62-40-49(33-34-68-62)48-29-27-47(28-30-48)45-19-12-10-13-20-45;1-39(2)43-24-26-45(27-25-43)46-30-31-65-59(37-46)50-33-48(44-18-13-12-14-19-44)32-49(34-50)52-21-17-23-60-61(52)66-63(57-36-47(40(3)4)35-56(42(7)8)62(57)68)67(60)51-28-29-53(55(38-51)41(5)6)54-20-15-16-22-58(54)64(9,10)11;1-38(2)43-34-53(40(5)6)59(67)54(35-43)60-65-58-49(20-18-22-57(58)66(60)48-27-28-50(52(37-48)39(3)4)51-19-16-17-21-55(51)63(13,14)15)44-31-45(33-47(32-44)62(10,11)12)56-36-42(29-30-64-56)41-23-25-46(26-24-41)61(7,8)9;;;/h10-36,38-44,71H,1-9H3;12-33,35-42,68H,1-11H3;16-30,32-40,67H,1-15H3;;;/q3*-1;;;/i43D;39D,41D;7D3,8D3,9D3,23D,24D,25D,26D,39D;;;
InChIKeyQGDDYEMVLURJGK-QSYSYTDGSA-N
MW3304.10 g/mol
LogP53.50
Rot. Bonds31

About 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (PubChem CID 157067860) has the molecular formula C194H196N9O3Pt3-3 and a molecular weight of 3304.10 g/mol. Its IUPAC name is 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

Molecular Properties

Compound Name2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
PubChem CID157067860
Molecular FormulaC194H196N9O3Pt3-3
Molecular Weight3304.10 g/mol
Exact Mass3301.55
IUPAC Name2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
SMILES[2H]C(C)(C)c1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1C(C)(C)C.[2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)C)cc(C(C)C)c4O)n5-c4ccc(-c5ccccc5C(C)(C)C)c(C([2H])(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3ccc(-c4ccccc4C(C)(C)C)c(C([2H])(C)C)c3)cc(C(C)(C)C)c2)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C67H62N3O.C64H64N3O.C63H70N3O.3Pt/c1-42(2)50-38-59(44(5)6)65(71)60(39-50)66-69-64-55(24-18-26-63(64)70(66)54-31-32-56(58(41-54)43(3)4)57-23-16-17-25-61(57)67(7,8)9)52-35-51(46-21-14-11-15-22-46)36-53(37-52)62-40-49(33-34-68-62)48-29-27-47(28-30-48)45-19-12-10-13-20-45;1-39(2)43-24-26-45(27-25-43)46-30-31-65-59(37-46)50-33-48(44-18-13-12-14-19-44)32-49(34-50)52-21-17-23-60-61(52)66-63(57-36-47(40(3)4)35-56(42(7)8)62(57)68)67(60)51-28-29-53(55(38-51)41(5)6)54-20-15-16-22-58(54)64(9,10)11;1-38(2)43-34-53(40(5)6)59(67)54(35-43)60-65-58-49(20-18-22-57(58)66(60)48-27-28-50(52(37-48)39(3)4)51-19-16-17-21-55(51)63(13,14)15)44-31-45(33-47(32-44)62(10,11)12)56-36-42(29-30-64-56)41-23-25-46(26-24-41)61(7,8)9;;;/h10-36,38-44,71H,1-9H3;12-33,35-42,68H,1-11H3;16-30,32-40,67H,1-15H3;;;/q3*-1;;;/i43D;39D,41D;7D3,8D3,9D3,23D,24D,25D,26D,39D;;;
InChIKeyQGDDYEMVLURJGK-QSYSYTDGSA-N
XLogP53.50
TPSA152.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003304.10
LogP ≤ 553.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum with MolForge

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Related Compounds

3-tert-butyl-N-[2-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-[10-(trifluoromethyl)benzo[g]quinazolin-4-yl]pyridin-2-amine;9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-2-amine;2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-tert-butyl-6-[(4-phenyl-2-pyridinyl)amino]-2-pyridinyl]benzimidazol-2-yl]phenol;platinum;platinum(2+)
CID 157080983
CID 157462522
CID 157462522
CID 157617296
CID 157617296
CID 158157518
CID 158157518
CID 158239006
CID 158239006
CID 158431192
CID 158431192
CID 158636196
CID 158636196
CID 159096807
CID 159096807
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159471047
CID 159570252
CID 159570252
CID 159810756
CID 159810756
5-[3-[10-(3-Tert-butylphenyl)anthracen-9-yl]-5-pyridin-3-ylphenyl]-8-methylpyrido[3,2-b]indole;[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;9-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]pyrido[3,4-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-(3-naphthalen-1-ylphenyl)-5-[3-(10-phenylanthracen-9-yl)phenyl]pyrido[4,3-b]indole;5-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-9-phenylpyrido[3,2-b]indole
CID 159934034

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?
The IUPAC name of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (CID 157067860) is 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.
What is the SMILES notation for 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?
The canonical SMILES for 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is [2H]C(C)(C)c1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1C(C)(C)C.[2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)C)cc(C(C)C)c4O)n5-c4ccc(-c5ccccc5C(C)(C)C)c(C([2H])(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)C)cc(C(C)C)c3O)n4-c3ccc(-c4ccccc4C(C)(C)C)c(C([2H])(C)C)c3)cc(C(C)(C)C)c2)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?
The InChIKey is QGDDYEMVLURJGK-QSYSYTDGSA-N. The full InChI is InChI=1S/C67H62N3O.C64H64N3O.C63H70N3O.3Pt/c1-42(2)50-38-59(44(5)6)65(71)60(39-50)66-69-64-55(24-18-26-63(64)70(66)54-31-32-56(58(41-54)43(3)4)57-23-16-17-25-61(57)67(7,8)9)52-35-51(46-21-14-11-15-22-46)36-53(37-52)62-40-49(33-34-68-62)48-29-27-47(28-30-48)45-19-12-10-13-20-45;1-39(2)43-24-26-45(27-25-43)46-30-31-65-59(37-46)50-33-48(44-18-13-12-14-19-44)32-49(34-50)52-21-17-23-60-61(52)66-63(57-36-47(40(3)4)35-56(42(7)8)62(57)68)67(60)51-28-29-53(55(38-51)41(5)6)54-20-15-16-22-58(54)64(9,10)11;1-38(2)43-34-53(40(5)6)59(67)54(35-43)60-65-58-49(20-18-22-57(58)66(60)48-27-28-50(52(37-48)39(3)4)51-19-16-17-21-55(51)63(13,14)15)44-31-45(33-47(32-44)62(10,11)12)56-36-42(29-30-64-56)41-23-25-46(26-24-41)61(7,8)9;;;/h10-36,38-44,71H,1-9H3;12-33,35-42,68H,1-11H3;16-30,32-40,67H,1-15H3;;;/q3*-1;;;/i43D;39D,41D;7D3,8D3,9D3,23D,24D,25D,26D,39D;;;.
What are the key properties of 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?
2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum has a molecular weight of 3304.10 g/mol, XLogP of 53.50, 31 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;2-[1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is sourced from PubChem (CID 157067860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).