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

C60H53F3N3OPtS- — CID 164939660

IUPAC4-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
SMILESCC(C)(C)Cc1ccc2c(ccc3c2sc2c(-c4[c-]cccc4)nc(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)c(C(F)(F)F)c23)c1.[Pt]
InChIInChI=1S/C60H53F3N3OS.Pt/c1-57(2,3)34-35-23-27-41-38(31-35)24-28-42-49-50(60(61,62)63)53(64-51(55(49)68-54(41)42)37-19-14-11-15-20-37)43-21-16-22-47-52(43)65-56(45-33-40(59(7,8)9)26-30-48(45)67)66(47)46-29-25-39(58(4,5)6)32-44(46)36-17-12-10-13-18-36;/h10-19,21-33,67H,34H2,1-9H3;/q-1;
InChIKeyMIZPEKULWZNNQA-UHFFFAOYSA-N
MW1116.24 g/mol
LogP17.32
Rot. Bonds6

About 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

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 (PubChem CID 164939660) has the molecular formula C60H53F3N3OPtS- and a molecular weight of 1116.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID164939660
Molecular FormulaC60H53F3N3OPtS-
Molecular Weight1116.24 g/mol
Exact Mass1115.35
IUPAC Name4-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
SMILESCC(C)(C)Cc1ccc2c(ccc3c2sc2c(-c4[c-]cccc4)nc(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)c(C(F)(F)F)c23)c1.[Pt]
InChIInChI=1S/C60H53F3N3OS.Pt/c1-57(2,3)34-35-23-27-41-38(31-35)24-28-42-49-50(60(61,62)63)53(64-51(55(49)68-54(41)42)37-19-14-11-15-20-37)43-21-16-22-47-52(43)65-56(45-33-40(59(7,8)9)26-30-48(45)67)66(47)46-29-25-39(58(4,5)6)32-44(46)36-17-12-10-13-18-36;/h10-19,21-33,67H,34H2,1-9H3;/q-1;
InChIKeyMIZPEKULWZNNQA-UHFFFAOYSA-N
XLogP17.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.24
LogP ≤ 517.32
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-methyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;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;platinum
CID 158656333
CID 159553973
CID 159553973
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-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-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
CID 171043628
CID 171043628
2,4-Ditert-butyl-6-[4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 171052006
2-[4-[3-[5-[3,5-Bis(trifluoromethyl)phenyl]-3-(4-tert-butyl-2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
CID 171052046
CID 177073348
CID 177073348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Cc1ccc2c(ccc3c2sc2c(-c4[c-]cccc4)nc(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)c(C(F)(F)F)c23)c1.[Pt].
What is the InChIKey of 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?
The InChIKey is MIZPEKULWZNNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53F3N3OS.Pt/c1-57(2,3)34-35-23-27-41-38(31-35)24-28-42-49-50(60(61,62)63)53(64-51(55(49)68-54(41)42)37-19-14-11-15-20-37)43-21-16-22-47-52(43)65-56(45-33-40(59(7,8)9)26-30-48(45)67)66(47)46-29-25-39(58(4,5)6)32-44(46)36-17-12-10-13-18-36;/h10-19,21-33,67H,34H2,1-9H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 1116.24 g/mol, XLogP of 17.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164939660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).