2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))

C193H178N6O6Pt3 — CID 163846740

IUPAC2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))
SMILES[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(-c6ccc(C7([2H])CC(C)(C)C(C)(C)C(C)(C)C7)cc6C)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(-c6ccc(C7([2H])CCC(C)(C)C(C)(C)C7)cc6C)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(C6([2H])CCC(C)(C)C(C)(C)C6)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C68H64N2O2.C66H60N2O2.C59H54N2O2.3Pt/c1-40-30-61(69-38-43(40)4)50-31-58(46-18-14-13-15-19-46)45(6)63(32-50)71-52-33-59-56-27-22-47-20-16-17-21-55(47)64(56)72-65(59)60(34-52)62-35-57(44(5)39-70-62)54-26-24-49(29-42(54)3)53-25-23-48(28-41(53)2)51-36-66(7,8)68(11,12)67(9,10)37-51;1-39-30-60(67-37-42(39)4)50-31-57(45-16-12-11-13-17-45)44(6)62(32-50)69-51-33-58-55-25-20-46-18-14-15-19-54(46)63(55)70-64(58)59(34-51)61-35-56(43(5)38-68-61)53-24-22-48(29-41(53)3)52-23-21-47(28-40(52)2)49-26-27-65(7,8)66(9,10)36-49;1-35-26-53(60-33-37(35)3)44-27-50(40-15-11-10-12-16-40)39(5)55(28-44)62-45-29-51-48-22-19-41-17-13-14-18-47(41)56(48)63-57(51)52(30-45)54-31-49(38(4)34-61-54)46-21-20-42(25-36(46)2)43-23-24-58(6,7)59(8,9)32-43;;;/h13-31,33,35,38-39,51H,36-37H2,1-12H3;11-25,28-31,33,35,37-38,49H,26-27,36H2,1-10H3;10-22,25-27,29,31,33-34,43H,23-24,32H2,1-9H3;;;/q3*-2;3*+2/i1D3,4D3,6D3,51D;1D3,4D3,6D3,49D;1D3,3D3,5D3,43D;;;
InChIKeyPBWSUUFRSGOKHZ-DCPUHWGKSA-N
MW3293.00 g/mol
LogP53.94
Rot. Bonds32

About 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))

2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)) (PubChem CID 163846740) has the molecular formula C193H178N6O6Pt3 and a molecular weight of 3293.00 g/mol. Its IUPAC name is 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)).

Molecular Properties

Compound Name2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))
PubChem CID163846740
Molecular FormulaC193H178N6O6Pt3
Molecular Weight3293.00 g/mol
Exact Mass3290.46
IUPAC Name2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))
SMILES[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(-c6ccc(C7([2H])CC(C)(C)C(C)(C)C(C)(C)C7)cc6C)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(-c6ccc(C7([2H])CCC(C)(C)C(C)(C)C7)cc6C)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(C6([2H])CCC(C)(C)C(C)(C)C6)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C68H64N2O2.C66H60N2O2.C59H54N2O2.3Pt/c1-40-30-61(69-38-43(40)4)50-31-58(46-18-14-13-15-19-46)45(6)63(32-50)71-52-33-59-56-27-22-47-20-16-17-21-55(47)64(56)72-65(59)60(34-52)62-35-57(44(5)39-70-62)54-26-24-49(29-42(54)3)53-25-23-48(28-41(53)2)51-36-66(7,8)68(11,12)67(9,10)37-51;1-39-30-60(67-37-42(39)4)50-31-57(45-16-12-11-13-17-45)44(6)62(32-50)69-51-33-58-55-25-20-46-18-14-15-19-54(46)63(55)70-64(58)59(34-51)61-35-56(43(5)38-68-61)53-24-22-48(29-41(53)3)52-23-21-47(28-40(52)2)49-26-27-65(7,8)66(9,10)36-49;1-35-26-53(60-33-37(35)3)44-27-50(40-15-11-10-12-16-40)39(5)55(28-44)62-45-29-51-48-22-19-41-17-13-14-18-47(41)56(48)63-57(51)52(30-45)54-31-49(38(4)34-61-54)46-21-20-42(25-36(46)2)43-23-24-58(6,7)59(8,9)32-43;;;/h13-31,33,35,38-39,51H,36-37H2,1-12H3;11-25,28-31,33,35,37-38,49H,26-27,36H2,1-10H3;10-22,25-27,29,31,33-34,43H,23-24,32H2,1-9H3;;;/q3*-2;3*+2/i1D3,4D3,6D3,51D;1D3,4D3,6D3,49D;1D3,3D3,5D3,43D;;;
InChIKeyPBWSUUFRSGOKHZ-DCPUHWGKSA-N
XLogP53.94
TPSA144.45 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.00
LogP ≤ 553.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)) with MolForge

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Related Compounds

CID 162771228
CID 162771228
2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)
CID 162771247
CID 162771188
CID 162771188
2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine
CID 172526091
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157360237
2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl]-4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl]-4-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-methylcyclohexyl]-2,4-dimethylcyclohexyl]-5-methylpyridine;2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;tris(platinum(2+))
CID 163975490
6-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-methylphenyl]-5-methyl-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 163785591
4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 158314441
tris(4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 158027405
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452923
CID 162452827
CID 162452827
4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium
CID 162454605

Frequently Asked Questions

What is the IUPAC name of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))?
The IUPAC name of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)) (CID 163846740) is 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)).
What is the SMILES notation for 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))?
The canonical SMILES for 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)) is [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(-c6ccc(C7([2H])CC(C)(C)C(C)(C)C(C)(C)C7)cc6C)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(-c6ccc(C7([2H])CCC(C)(C)C(C)(C)C7)cc6C)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc(C6([2H])CCC(C)(C)C(C)(C)C6)cc5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))?
The InChIKey is PBWSUUFRSGOKHZ-DCPUHWGKSA-N. The full InChI is InChI=1S/C68H64N2O2.C66H60N2O2.C59H54N2O2.3Pt/c1-40-30-61(69-38-43(40)4)50-31-58(46-18-14-13-15-19-46)45(6)63(32-50)71-52-33-59-56-27-22-47-20-16-17-21-55(47)64(56)72-65(59)60(34-52)62-35-57(44(5)39-70-62)54-26-24-49(29-42(54)3)53-25-23-48(28-41(53)2)51-36-66(7,8)68(11,12)67(9,10)37-51;1-39-30-60(67-37-42(39)4)50-31-57(45-16-12-11-13-17-45)44(6)62(32-50)69-51-33-58-55-25-20-46-18-14-15-19-54(46)63(55)70-64(58)59(34-51)61-35-56(43(5)38-68-61)53-24-22-48(29-41(53)3)52-23-21-47(28-40(52)2)49-26-27-65(7,8)66(9,10)36-49;1-35-26-53(60-33-37(35)3)44-27-50(40-15-11-10-12-16-40)39(5)55(28-44)62-45-29-51-48-22-19-41-17-13-14-18-47(41)56(48)63-57(51)52(30-45)54-31-49(38(4)34-61-54)46-21-20-42(25-36(46)2)43-23-24-58(6,7)59(8,9)32-43;;;/h13-31,33,35,38-39,51H,36-37H2,1-12H3;11-25,28-31,33,35,37-38,49H,26-27,36H2,1-10H3;10-22,25-27,29,31,33-34,43H,23-24,32H2,1-9H3;;;/q3*-2;3*+2/i1D3,4D3,6D3,51D;1D3,4D3,6D3,49D;1D3,3D3,5D3,43D;;;.
What are the key properties of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))?
2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)) has a molecular weight of 3293.00 g/mol, XLogP of 53.94, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+)) is sourced from PubChem (CID 163846740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).