2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum

C212H187N16O5Pt5-5 — CID 158441521

IUPAC2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum
SMILES[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cc4ccccc4c(-c4ccccc4O)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cccc(-c4c(O)ccc5ccccc45)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3nc(-c4ccccc4O)cc4ccccc34)ccc2)nc2ccccc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]cccc2)nc2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(C([2H])(C)C([2H])([2H])[2H])cccc3C([2H])(C)C([2H])([2H])[2H])cccc21.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C50H49N4O.C42H36N3O.3C40H34N3O.5Pt/c1-30(2)35-21-14-22-36(31(3)4)47(35)53-42-27-16-25-39(45(42)51-49(53)34-18-10-9-11-19-34)40-26-17-28-43-46(40)52-50(41-20-12-13-29-44(41)55)54(43)48-37(32(5)6)23-15-24-38(48)33(7)8;1-27(2)33-19-13-20-34(28(3)4)41(33)45-39-22-10-9-21-36(39)44-42(45)31-17-12-16-30(24-31)37-25-32(29-14-6-5-7-15-29)26-38(43-37)35-18-8-11-23-40(35)46;1-25(2)30-18-12-19-31(26(3)4)39(30)43-36-21-9-8-20-34(36)42-40(43)29-15-11-14-28(23-29)38-32-16-6-5-13-27(32)24-35(41-38)33-17-7-10-22-37(33)44;1-25(2)30-18-12-19-31(26(3)4)39(30)43-36-21-9-8-20-34(36)42-40(43)29-15-11-14-28(23-29)35-24-27-13-5-6-16-32(27)38(41-35)33-17-7-10-22-37(33)44;1-25(2)30-16-10-17-31(26(3)4)39(30)43-36-21-8-7-18-34(36)42-40(43)29-14-9-13-28(24-29)33-19-11-20-35(41-33)38-32-15-6-5-12-27(32)22-23-37(38)44;;;;;/h9-18,20-33,55H,1-8H3;5-23,25-28,46H,1-4H3;2*5-22,24-26,44H,1-4H3;5-23,25-26,44H,1-4H3;;;;;/q5*-1;;;;;/i1D3,3D3,5D3,7D3,30D,31D,32D,33D;1D3,27D,28D;3*1D3,25D,26D;;;;;
InChIKeyDPOUPZLSZKNSSB-AKSKPMMZSA-N
MW4050.54 g/mol
LogP55.18
Rot. Bonds42

About 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum

2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum (PubChem CID 158441521) has the molecular formula C212H187N16O5Pt5-5 and a molecular weight of 4050.54 g/mol. Its IUPAC name is 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum.

Molecular Properties

Compound Name2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum
PubChem CID158441521
Molecular FormulaC212H187N16O5Pt5-5
Molecular Weight4050.54 g/mol
Exact Mass4047.54
IUPAC Name2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum
SMILES[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cc4ccccc4c(-c4ccccc4O)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cccc(-c4c(O)ccc5ccccc45)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3nc(-c4ccccc4O)cc4ccccc34)ccc2)nc2ccccc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]cccc2)nc2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(C([2H])(C)C([2H])([2H])[2H])cccc3C([2H])(C)C([2H])([2H])[2H])cccc21.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C50H49N4O.C42H36N3O.3C40H34N3O.5Pt/c1-30(2)35-21-14-22-36(31(3)4)47(35)53-42-27-16-25-39(45(42)51-49(53)34-18-10-9-11-19-34)40-26-17-28-43-46(40)52-50(41-20-12-13-29-44(41)55)54(43)48-37(32(5)6)23-15-24-38(48)33(7)8;1-27(2)33-19-13-20-34(28(3)4)41(33)45-39-22-10-9-21-36(39)44-42(45)31-17-12-16-30(24-31)37-25-32(29-14-6-5-7-15-29)26-38(43-37)35-18-8-11-23-40(35)46;1-25(2)30-18-12-19-31(26(3)4)39(30)43-36-21-9-8-20-34(36)42-40(43)29-15-11-14-28(23-29)38-32-16-6-5-13-27(32)24-35(41-38)33-17-7-10-22-37(33)44;1-25(2)30-18-12-19-31(26(3)4)39(30)43-36-21-9-8-20-34(36)42-40(43)29-15-11-14-28(23-29)35-24-27-13-5-6-16-32(27)38(41-35)33-17-7-10-22-37(33)44;1-25(2)30-16-10-17-31(26(3)4)39(30)43-36-21-8-7-18-34(36)42-40(43)29-14-9-13-28(24-29)33-19-11-20-35(41-33)38-32-15-6-5-12-27(32)22-23-37(38)44;;;;;/h9-18,20-33,55H,1-8H3;5-23,25-28,46H,1-4H3;2*5-22,24-26,44H,1-4H3;5-23,25-26,44H,1-4H3;;;;;/q5*-1;;;;;/i1D3,3D3,5D3,7D3,30D,31D,32D,33D;1D3,27D,28D;3*1D3,25D,26D;;;;;
InChIKeyDPOUPZLSZKNSSB-AKSKPMMZSA-N
XLogP55.18
TPSA259.63 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004050.54
LogP ≤ 555.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum with MolForge

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Related Compounds

CID 157617296
CID 157617296
CID 158431192
CID 158431192
CID 159096807
CID 159096807
CID 159980703
CID 159980703
2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)phenyl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;platinum
CID 160792148
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;18,18-dimethyl-7-azoniapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaene;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-2-phenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-phenylpyridine;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 161703318
CID 161971380
CID 161971380
CID 163472941
CID 163472941
(1R,28R)-2,29,57-trioxa-12,27,39,54-tetraza-9,55-diazonia-1,28-diboranuidahexadecacyclo[28.24.2.27,10.11,28.03,8.09,28.011,27.013,26.014,19.020,25.034,56.037,55.038,54.040,53.041,46.047,52]nonapentaconta-3,5,7,9,11,13(26),14,16,18,20,22,24,30,32,34(56),35,37(55),38,40(53),41,43,45,47,49,51,58-hexacosaene
CID 139041013
Acetic acid;2,6-bis[[bis[(1-ethylbenzimidazol-2-yl)methyl]amino]methyl]-4-methylphenol;manganese
CID 59800588
2-[4-[3,5-Di(propan-2-yl)phenyl]-6-[3-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 145742384
1-[6-[1-[3,5-Di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]-2-pyridinyl]naphthalen-2-ol;platinum
CID 145742387

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum?
The IUPAC name of 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum (CID 158441521) is 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum.
What is the SMILES notation for 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum?
The canonical SMILES for 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum is [2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cc4ccccc4c(-c4ccccc4O)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3cccc(-c4c(O)ccc5ccccc45)n3)ccc2)nc2ccccc21.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]c(-c3nc(-c4ccccc4O)cc4ccccc34)ccc2)nc2ccccc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]cccc2)nc2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(C([2H])(C)C([2H])([2H])[2H])cccc3C([2H])(C)C([2H])([2H])[2H])cccc21.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum?
The InChIKey is DPOUPZLSZKNSSB-AKSKPMMZSA-N. The full InChI is InChI=1S/C50H49N4O.C42H36N3O.3C40H34N3O.5Pt/c1-30(2)35-21-14-22-36(31(3)4)47(35)53-42-27-16-25-39(45(42)51-49(53)34-18-10-9-11-19-34)40-26-17-28-43-46(40)52-50(41-20-12-13-29-44(41)55)54(43)48-37(32(5)6)23-15-24-38(48)33(7)8;1-27(2)33-19-13-20-34(28(3)4)41(33)45-39-22-10-9-21-36(39)44-42(45)31-17-12-16-30(24-31)37-25-32(29-14-6-5-7-15-29)26-38(43-37)35-18-8-11-23-40(35)46;1-25(2)30-18-12-19-31(26(3)4)39(30)43-36-21-9-8-20-34(36)42-40(43)29-15-11-14-28(23-29)38-32-16-6-5-13-27(32)24-35(41-38)33-17-7-10-22-37(33)44;1-25(2)30-18-12-19-31(26(3)4)39(30)43-36-21-9-8-20-34(36)42-40(43)29-15-11-14-28(23-29)35-24-27-13-5-6-16-32(27)38(41-35)33-17-7-10-22-37(33)44;1-25(2)30-16-10-17-31(26(3)4)39(30)43-36-21-8-7-18-34(36)42-40(43)29-14-9-13-28(24-29)33-19-11-20-35(41-33)38-32-15-6-5-12-27(32)22-23-37(38)44;;;;;/h9-18,20-33,55H,1-8H3;5-23,25-28,46H,1-4H3;2*5-22,24-26,44H,1-4H3;5-23,25-26,44H,1-4H3;;;;;/q5*-1;;;;;/i1D3,3D3,5D3,7D3,30D,31D,32D,33D;1D3,27D,28D;3*1D3,25D,26D;;;;;.
What are the key properties of 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum?
2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum has a molecular weight of 4050.54 g/mol, XLogP of 55.18, 42 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[1-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-1-yl]phenol;2-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;1-[6-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;platinum is sourced from PubChem (CID 158441521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).