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)phenyl]benzimidazol-2-yl]phenol

C68H65F3N4OS — CID 166496424

IUPAC2,4-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)phenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccccc6)ccn5)cc(-c5ccc(-c6cnc(C(F)(F)F)s6)cc5C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C68H65F3N4OS/c1-64(2,3)48-27-29-57(52(37-48)42-22-17-14-18-23-42)75-58-25-19-24-51(60(58)74-62(75)53-38-49(65(4,5)6)39-55(61(53)76)67(10,11)12)46-32-45(33-47(34-46)56-36-43(30-31-72-56)41-20-15-13-16-21-41)50-28-26-44(35-54(50)66(7,8)9)59-40-73-63(77-59)68(69,70)71/h13-40,76H,1-12H3
InChIKeyGHLMFILIEWNUFK-UHFFFAOYSA-N
MW1043.36 g/mol
LogP19.46
Rot. Bonds8

About 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)phenyl]benzimidazol-2-yl]phenol

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)phenyl]benzimidazol-2-yl]phenol (PubChem CID 166496424) has the molecular formula C68H65F3N4OS and a molecular weight of 1043.36 g/mol. Its IUPAC name is 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)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-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)phenyl]benzimidazol-2-yl]phenol
PubChem CID166496424
Molecular FormulaC68H65F3N4OS
Molecular Weight1043.36 g/mol
Exact Mass1042.48
IUPAC Name2,4-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)phenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccccc6)ccn5)cc(-c5ccc(-c6cnc(C(F)(F)F)s6)cc5C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C68H65F3N4OS/c1-64(2,3)48-27-29-57(52(37-48)42-22-17-14-18-23-42)75-58-25-19-24-51(60(58)74-62(75)53-38-49(65(4,5)6)39-55(61(53)76)67(10,11)12)46-32-45(33-47(34-46)56-36-43(30-31-72-56)41-20-15-13-16-21-41)50-28-26-44(35-54(50)66(7,8)9)59-40-73-63(77-59)68(69,70)71/h13-40,76H,1-12H3
InChIKeyGHLMFILIEWNUFK-UHFFFAOYSA-N
XLogP19.46
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.36
LogP ≤ 519.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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)phenyl]benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2-[[5-[[4-(1,3-Benzothiazol-2-yl)-3-phenylanilino]methyl]imidazol-1-yl]methyl]-5-phenylphenol
CID 72544200
2-[4-[[5-[[4-(1,3-Benzothiazol-2-yl)-3-phenylanilino]methyl]imidazol-1-yl]methyl]phenyl]phenol
CID 72546293
4-[2-(1,3-Benzothiazol-2-yl)-5-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methylamino]phenyl]phenol
CID 136239515
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

Frequently Asked Questions

What is the IUPAC name of 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)phenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 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)phenyl]benzimidazol-2-yl]phenol (CID 166496424) is 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)phenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 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)phenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 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)phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccccc6)ccn5)cc(-c5ccc(-c6cnc(C(F)(F)F)s6)cc5C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1.
What is the InChIKey of 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)phenyl]benzimidazol-2-yl]phenol?
The InChIKey is GHLMFILIEWNUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H65F3N4OS/c1-64(2,3)48-27-29-57(52(37-48)42-22-17-14-18-23-42)75-58-25-19-24-51(60(58)74-62(75)53-38-49(65(4,5)6)39-55(61(53)76)67(10,11)12)46-32-45(33-47(34-46)56-36-43(30-31-72-56)41-20-15-13-16-21-41)50-28-26-44(35-54(50)66(7,8)9)59-40-73-63(77-59)68(69,70)71/h13-40,76H,1-12H3.
What are the key properties of 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)phenyl]benzimidazol-2-yl]phenol?
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)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 1043.36 g/mol, XLogP of 19.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 166496424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).