8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))

C222H178F8N14O5Pt4-2 — CID 163949469

IUPAC8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cc(-c3c(C(C)(C)C)cccc3C(C)(C)C)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2c5cc6c(cc5ccc42)CC(c2ccccc2)C6)n3-c2ccccc2)c1.Cc1cnc(-c2[c-]c(-c3cccc4ccc(-c5cc6c(cn5)C(F)(F)C(c5ccccc5)C6(F)F)[c-]c34)c3ccccc3c2)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6ccccc6cn5)cc5c4C(F)(F)C(c4ccccc4)C5(F)F)ccc3n3c4ccccc4nc23)cc1C.[2H]C([2H])([2H])c1cc(-c2ccc3c(c2)C(C)(C)C(c2ccccc2)C3(C)C)ccc1-n1c(-c2c(O)ccc3c2oc2nc(C)ccc23)nc2c(-c3[c-]c(-c4cc(-c5ccccc5C(C)(C)C)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt+2].[Pt+2].[Pt].[Pt]
InChIInChI=1S/C70H65N4O2.C67H60N3O2.C44H27F4N5O.C41H26F4N2.4Pt/c1-41-35-44(45-26-30-55-56(39-45)70(11,12)64(69(55,9)10)43-19-14-13-15-20-43)27-31-58(41)74-59-24-18-22-51(62(59)73-65(74)61-60(75)32-29-52-53-28-25-42(2)72-66(53)76-63(52)61)47-36-48(38-49(37-47)67(3,4)5)57-40-46(33-34-71-57)50-21-16-17-23-54(50)68(6,7)8;1-65(2,3)48-36-46(35-47(37-48)56-39-42(30-31-68-56)59-54(66(4,5)6)23-17-24-55(59)67(7,8)9)50-22-16-25-57-61(50)69-64(70(57)49-20-14-11-15-21-49)60-58(71)29-28-52-51-27-26-41-32-44-33-43(40-18-12-10-13-19-40)34-45(44)38-53(41)62(51)72-63(52)60;1-25-18-39(50-23-26(25)2)53-37-22-31(16-17-36(37)52-35-15-9-8-14-33(35)51-42(52)53)54-38-21-30(34-20-28-12-6-7-13-29(28)24-49-34)19-32-40(38)44(47,48)41(43(32,45)46)27-10-4-3-5-11-27;1-24-17-37(46-22-25(24)2)30-18-28-11-6-7-13-31(28)34(20-30)32-14-8-12-26-15-16-29(19-33(26)32)38-21-35-36(23-47-38)41(44,45)39(40(35,42)43)27-9-4-3-5-10-27;;;;/h13-35,37-40,64,75H,1-12H3;10-32,36-39,43,71H,33-34H2,1-9H3;3-20,23-24,41H,1-2H3;3-18,21-23,39H,1-2H3;;;;/q2*-1;2*-2;;;2*+2/i1D3;;;;;;;
InChIKeyWCXTZEOQPIMPLZ-MGLXGDIDSA-N
MW4057.27 g/mol
LogP57.55
Rot. Bonds23

About 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))

8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)) (PubChem CID 163949469) has the molecular formula C222H178F8N14O5Pt4-2 and a molecular weight of 4057.27 g/mol. Its IUPAC name is 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)).

Molecular Properties

Compound Name8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))
PubChem CID163949469
Molecular FormulaC222H178F8N14O5Pt4-2
Molecular Weight4057.27 g/mol
Exact Mass4054.28
IUPAC Name8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cc(-c3c(C(C)(C)C)cccc3C(C)(C)C)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2c5cc6c(cc5ccc42)CC(c2ccccc2)C6)n3-c2ccccc2)c1.Cc1cnc(-c2[c-]c(-c3cccc4ccc(-c5cc6c(cn5)C(F)(F)C(c5ccccc5)C6(F)F)[c-]c34)c3ccccc3c2)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6ccccc6cn5)cc5c4C(F)(F)C(c4ccccc4)C5(F)F)ccc3n3c4ccccc4nc23)cc1C.[2H]C([2H])([2H])c1cc(-c2ccc3c(c2)C(C)(C)C(c2ccccc2)C3(C)C)ccc1-n1c(-c2c(O)ccc3c2oc2nc(C)ccc23)nc2c(-c3[c-]c(-c4cc(-c5ccccc5C(C)(C)C)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt+2].[Pt+2].[Pt].[Pt]
InChIInChI=1S/C70H65N4O2.C67H60N3O2.C44H27F4N5O.C41H26F4N2.4Pt/c1-41-35-44(45-26-30-55-56(39-45)70(11,12)64(69(55,9)10)43-19-14-13-15-20-43)27-31-58(41)74-59-24-18-22-51(62(59)73-65(74)61-60(75)32-29-52-53-28-25-42(2)72-66(53)76-63(52)61)47-36-48(38-49(37-47)67(3,4)5)57-40-46(33-34-71-57)50-21-16-17-23-54(50)68(6,7)8;1-65(2,3)48-36-46(35-47(37-48)56-39-42(30-31-68-56)59-54(66(4,5)6)23-17-24-55(59)67(7,8)9)50-22-16-25-57-61(50)69-64(70(57)49-20-14-11-15-21-49)60-58(71)29-28-52-51-27-26-41-32-44-33-43(40-18-12-10-13-19-40)34-45(44)38-53(41)62(51)72-63(52)60;1-25-18-39(50-23-26(25)2)53-37-22-31(16-17-36(37)52-35-15-9-8-14-33(35)51-42(52)53)54-38-21-30(34-20-28-12-6-7-13-29(28)24-49-34)19-32-40(38)44(47,48)41(43(32,45)46)27-10-4-3-5-11-27;1-24-17-37(46-22-25(24)2)30-18-28-11-6-7-13-31(28)34(20-30)32-14-8-12-26-15-16-29(19-33(26)32)38-21-35-36(23-47-38)41(44,45)39(40(35,42)43)27-9-4-3-5-10-27;;;;/h13-35,37-40,64,75H,1-12H3;10-32,36-39,43,71H,33-34H2,1-9H3;3-20,23-24,41H,1-2H3;3-18,21-23,39H,1-2H3;;;;/q2*-1;2*-2;;;2*+2/i1D3;;;;;;;
InChIKeyWCXTZEOQPIMPLZ-MGLXGDIDSA-N
XLogP57.55
TPSA224.07 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004057.27
LogP ≤ 557.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))?
The IUPAC name of 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)) (CID 163949469) is 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)).
What is the SMILES notation for 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))?
The canonical SMILES for 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)) is CC(C)(C)c1cc(-c2cc(-c3c(C(C)(C)C)cccc3C(C)(C)C)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2c5cc6c(cc5ccc42)CC(c2ccccc2)C6)n3-c2ccccc2)c1.Cc1cnc(-c2[c-]c(-c3cccc4ccc(-c5cc6c(cn5)C(F)(F)C(c5ccccc5)C6(F)F)[c-]c34)c3ccccc3c2)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6ccccc6cn5)cc5c4C(F)(F)C(c4ccccc4)C5(F)F)ccc3n3c4ccccc4nc23)cc1C.[2H]C([2H])([2H])c1cc(-c2ccc3c(c2)C(C)(C)C(c2ccccc2)C3(C)C)ccc1-n1c(-c2c(O)ccc3c2oc2nc(C)ccc23)nc2c(-c3[c-]c(-c4cc(-c5ccccc5C(C)(C)C)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt+2].[Pt+2].[Pt].[Pt].
What is the InChIKey of 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))?
The InChIKey is WCXTZEOQPIMPLZ-MGLXGDIDSA-N. The full InChI is InChI=1S/C70H65N4O2.C67H60N3O2.C44H27F4N5O.C41H26F4N2.4Pt/c1-41-35-44(45-26-30-55-56(39-45)70(11,12)64(69(55,9)10)43-19-14-13-15-20-43)27-31-58(41)74-59-24-18-22-51(62(59)73-65(74)61-60(75)32-29-52-53-28-25-42(2)72-66(53)76-63(52)61)47-36-48(38-49(37-47)67(3,4)5)57-40-46(33-34-71-57)50-21-16-17-23-54(50)68(6,7)8;1-65(2,3)48-36-46(35-47(37-48)56-39-42(30-31-68-56)59-54(66(4,5)6)23-17-24-55(59)67(7,8)9)50-22-16-25-57-61(50)69-64(70(57)49-20-14-11-15-21-49)60-58(71)29-28-52-51-27-26-41-32-44-33-43(40-18-12-10-13-19-40)34-45(44)38-53(41)62(51)72-63(52)60;1-25-18-39(50-23-26(25)2)53-37-22-31(16-17-36(37)52-35-15-9-8-14-33(35)51-42(52)53)54-38-21-30(34-20-28-12-6-7-13-29(28)24-49-34)19-32-40(38)44(47,48)41(43(32,45)46)27-10-4-3-5-11-27;1-24-17-37(46-22-25(24)2)30-18-28-11-6-7-13-31(28)34(20-30)32-14-8-12-26-15-16-29(19-33(26)32)38-21-35-36(23-47-38)41(44,45)39(40(35,42)43)27-9-4-3-5-10-27;;;;/h13-35,37-40,64,75H,1-12H3;10-32,36-39,43,71H,33-34H2,1-9H3;3-20,23-24,41H,1-2H3;3-18,21-23,39H,1-2H3;;;;/q2*-1;2*-2;;;2*+2/i1D3;;;;;;;.
What are the key properties of 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+))?
8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)) has a molecular weight of 4057.27 g/mol, XLogP of 57.55, 23 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-tert-butyl-5-[4-(2-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,1,3,3-tetramethyl-2-phenyl-2H-inden-5-yl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[2,3-b]pyridin-7-ol;18-[4-[3-tert-butyl-5-[4-(2,6-ditert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-6-phenyl-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-ol;3-[8-[3-(4,5-dimethyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-5,5,7,7-tetrafluoro-6-phenyl-6H-cyclopenta[c]pyridine;5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum;bis(platinum(2+)) is sourced from PubChem (CID 163949469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).