2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C56H54N3OPtS- — CID 140832043

IUPAC2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt]
InChIInChI=1S/C56H54N3OS.Pt/c1-33(2)41-27-36(35-19-12-11-13-20-35)28-42(34(3)4)52(41)59-47-24-18-22-39(51(47)58-54(59)44-31-38(55(5,6)7)32-45(53(44)60)56(8,9)10)43-29-37(46-23-16-17-26-57-46)30-49-50(43)40-21-14-15-25-48(40)61-49;/h11-28,30-34,60H,1-10H3;/q-1;
InChIKeyVAFJGIKKHXZIJK-UHFFFAOYSA-N
MW1012.21 g/mol
LogP15.80
Rot. Bonds7

About 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 140832043) has the molecular formula C56H54N3OPtS- and a molecular weight of 1012.21 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID140832043
Molecular FormulaC56H54N3OPtS-
Molecular Weight1012.21 g/mol
Exact Mass1011.36
IUPAC Name2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt]
InChIInChI=1S/C56H54N3OS.Pt/c1-33(2)41-27-36(35-19-12-11-13-20-35)28-42(34(3)4)52(41)59-47-24-18-22-39(51(47)58-54(59)44-31-38(55(5,6)7)32-45(53(44)60)56(8,9)10)43-29-37(46-23-16-17-26-57-46)30-49-50(43)40-21-14-15-25-48(40)61-49;/h11-28,30-34,60H,1-10H3;/q-1;
InChIKeyVAFJGIKKHXZIJK-UHFFFAOYSA-N
XLogP15.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.21
LogP ≤ 515.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-fluorophenyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164518279
2,4-Ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281
2,4-Ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
CID 164701419
4-Tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum
CID 164939660
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[5-(2,2-dimethylpropyl)-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164939725
4-Tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum
CID 164939832
4-[1-Tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[e]benzimidazol-2-yl]-1-phenyl-2-(trifluoromethyl)benzo[e][1]benzothiol-5-ol;platinum
CID 165168044
2-[4-[3-[4-[4-[2,6-Bis(trifluoromethyl)phenyl]-2-tert-butylphenyl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
CID 166496312
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-tert-butyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 166496350
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 166496423
2-[1-[3,5-Bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 167355646
2-[4-[3-[4-[4-[2,6-Bis(trifluoromethyl)-4-trimethylsilylphenyl]-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
CID 169052673

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 140832043) is 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is VAFJGIKKHXZIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54N3OS.Pt/c1-33(2)41-27-36(35-19-12-11-13-20-35)28-42(34(3)4)52(41)59-47-24-18-22-39(51(47)58-54(59)44-31-38(55(5,6)7)32-45(53(44)60)56(8,9)10)43-29-37(46-23-16-17-26-57-46)30-49-50(43)40-21-14-15-25-48(40)61-49;/h11-28,30-34,60H,1-10H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1012.21 g/mol, XLogP of 15.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140832043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).