2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C213H186N12O4Pt4-4 — CID 158003866

IUPAC2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(C(C)(C)C)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C54H52N3O.C53H42N3O.C52H40N3O.4Pt/c2*1-33-25-35(3)51(58)47(26-33)52-56-50-45(17-14-18-49(50)57(52)44-27-34(2)36(4)46(32-44)38-15-12-11-13-16-38)40-28-41(30-43(29-40)54(8,9)10)48-31-39(23-24-55-48)37-19-21-42(22-20-37)53(5,6)7;1-33-19-21-39(22-20-33)41-23-24-54-49(31-41)44-29-42(38-13-8-6-9-14-38)28-43(30-44)46-17-12-18-50-51(46)55-53(48-26-34(2)25-36(4)52(48)57)56(50)45-27-35(3)37(5)47(32-45)40-15-10-7-11-16-40;1-33-25-35(3)51(56)47(26-33)52-54-50-45(21-14-22-49(50)55(52)44-27-34(2)36(4)46(32-44)39-19-12-7-13-20-39)42-28-41(38-17-10-6-11-18-38)29-43(30-42)48-31-40(23-24-53-48)37-15-8-5-9-16-37;;;;/h2*11-27,29-32,58H,1-10H3;6-29,31-32,57H,1-5H3;5-29,31-32,56H,1-4H3;;;;/q4*-1;;;;/i2D3,4D3,5D3,6D3,7D3;2D3,4D3;3D3,5D3;2D3,4D3;;;;
InChIKeyXGNISPOKWGBGBO-LKFGFXTRSA-N
MW3791.42 g/mol
LogP54.80
Rot. Bonds34

About 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 158003866) has the molecular formula C213H186N12O4Pt4-4 and a molecular weight of 3791.42 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID158003866
Molecular FormulaC213H186N12O4Pt4-4
Molecular Weight3791.42 g/mol
Exact Mass3788.54
IUPAC Name2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(C(C)(C)C)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C54H52N3O.C53H42N3O.C52H40N3O.4Pt/c2*1-33-25-35(3)51(58)47(26-33)52-56-50-45(17-14-18-49(50)57(52)44-27-34(2)36(4)46(32-44)38-15-12-11-13-16-38)40-28-41(30-43(29-40)54(8,9)10)48-31-39(23-24-55-48)37-19-21-42(22-20-37)53(5,6)7;1-33-19-21-39(22-20-33)41-23-24-54-49(31-41)44-29-42(38-13-8-6-9-14-38)28-43(30-44)46-17-12-18-50-51(46)55-53(48-26-34(2)25-36(4)52(48)57)56(50)45-27-35(3)37(5)47(32-45)40-15-10-7-11-16-40;1-33-25-35(3)51(56)47(26-33)52-54-50-45(21-14-22-49(50)55(52)44-27-34(2)36(4)46(32-44)39-19-12-7-13-20-39)42-28-41(38-17-10-6-11-18-38)29-43(30-42)48-31-40(23-24-53-48)37-15-8-5-9-16-37;;;;/h2*11-27,29-32,58H,1-10H3;6-29,31-32,57H,1-5H3;5-29,31-32,56H,1-4H3;;;;/q4*-1;;;;/i2D3,4D3,5D3,6D3,7D3;2D3,4D3;3D3,5D3;2D3,4D3;;;;
InChIKeyXGNISPOKWGBGBO-LKFGFXTRSA-N
XLogP54.80
TPSA203.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003791.42
LogP ≤ 554.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 153479833
2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-phenyl-3-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 153482441
2-[4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153479397
2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 153482431
2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153477786
2-[1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 153479402
2-[1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 164701704
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 161432128
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 159409612
4-tert-butyl-2-[1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-methylphenol;platinum
CID 153480626
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 163526946
2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 153478647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 158003866) is 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(C(C)(C)C)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc(-c2ccccc2)c1C([2H])([2H])[2H].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is XGNISPOKWGBGBO-LKFGFXTRSA-N. The full InChI is InChI=1S/2C54H52N3O.C53H42N3O.C52H40N3O.4Pt/c2*1-33-25-35(3)51(58)47(26-33)52-56-50-45(17-14-18-49(50)57(52)44-27-34(2)36(4)46(32-44)38-15-12-11-13-16-38)40-28-41(30-43(29-40)54(8,9)10)48-31-39(23-24-55-48)37-19-21-42(22-20-37)53(5,6)7;1-33-19-21-39(22-20-33)41-23-24-54-49(31-41)44-29-42(38-13-8-6-9-14-38)28-43(30-44)46-17-12-18-50-51(46)55-53(48-26-34(2)25-36(4)52(48)57)56(50)45-27-35(3)37(5)47(32-45)40-15-10-7-11-16-40;1-33-25-35(3)51(56)47(26-33)52-54-50-45(21-14-22-49(50)55(52)44-27-34(2)36(4)46(32-44)39-19-12-7-13-20-39)42-28-41(38-17-10-6-11-18-38)29-43(30-42)48-31-40(23-24-53-48)37-15-8-5-9-16-37;;;;/h2*11-27,29-32,58H,1-10H3;6-29,31-32,57H,1-5H3;5-29,31-32,56H,1-4H3;;;;/q4*-1;;;;/i2D3,4D3,5D3,6D3,7D3;2D3,4D3;3D3,5D3;2D3,4D3;;;;.
What are the key properties of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 3791.42 g/mol, XLogP of 54.80, 34 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2,4-dimethyl-6-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-dimethyl-6-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 158003866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).