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

C102H89F6N8O2Pt- — CID 160792148

IUPAC2,4-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
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cc(C(F)(F)F)cc(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4cc(C(F)(F)F)cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C51H45F3N4O.C51H44F3N4O.Pt/c2*1-49(2,3)34-29-41(47(59)42(30-34)50(4,5)6)48-56-46-40(26-17-27-45(46)58(48)38-23-14-9-15-24-38)44-32-35(51(52,53)54)31-43(55-44)33-18-16-25-39(28-33)57(36-19-10-7-11-20-36)37-21-12-8-13-22-37;/h7-32,59H,1-6H3;7-17,19-32,59H,1-6H3;/q;-1;
InChIKeyRXZKVMCLIBAYMO-UHFFFAOYSA-N
MW1767.95 g/mol
LogP28.22
Rot. Bonds14

About 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

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 (PubChem CID 160792148) has the molecular formula C102H89F6N8O2Pt- and a molecular weight of 1767.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID160792148
Molecular FormulaC102H89F6N8O2Pt-
Molecular Weight1767.95 g/mol
Exact Mass1766.67
IUPAC Name2,4-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
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cc(C(F)(F)F)cc(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4cc(C(F)(F)F)cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C51H45F3N4O.C51H44F3N4O.Pt/c2*1-49(2,3)34-29-41(47(59)42(30-34)50(4,5)6)48-56-46-40(26-17-27-45(46)58(48)38-23-14-9-15-24-38)44-32-35(51(52,53)54)31-43(55-44)33-18-16-25-39(28-33)57(36-19-10-7-11-20-36)37-21-12-8-13-22-37;/h7-32,59H,1-6H3;7-17,19-32,59H,1-6H3;/q;-1;
InChIKeyRXZKVMCLIBAYMO-UHFFFAOYSA-N
XLogP28.22
TPSA108.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001767.95
LogP ≤ 528.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)phenyl]-4-(trifluoromethyl)pyridin-2-yl]benzimidazol-2-yl]phenol
CID 137293660
3-tert-butyl-N-[2-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-[10-(trifluoromethyl)benzo[g]quinazolin-4-yl]pyridin-2-amine;9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-2-amine;2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-tert-butyl-6-[(4-phenyl-2-pyridinyl)amino]-2-pyridinyl]benzimidazol-2-yl]phenol;platinum;platinum(2+)
CID 157080983
2-(4-bromo-1-phenylbenzimidazol-2-yl)-4,6-ditert-butylphenol;3-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]-N,N-diphenylaniline;deuterium monohydride;bis(N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline);methane;hydrofluoride
CID 157611527
3-[2-Fluoro-3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-2-ol
CID 164030682
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
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
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-[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
2,4-Ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum
CID 169052759

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2nc3c(-c4cc(C(F)(F)F)cc(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4cc(C(F)(F)F)cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of 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?
The InChIKey is RXZKVMCLIBAYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45F3N4O.C51H44F3N4O.Pt/c2*1-49(2,3)34-29-41(47(59)42(30-34)50(4,5)6)48-56-46-40(26-17-27-45(46)58(48)38-23-14-9-15-24-38)44-32-35(51(52,53)54)31-43(55-44)33-18-16-25-39(28-33)57(36-19-10-7-11-20-36)37-21-12-8-13-22-37;/h7-32,59H,1-6H3;7-17,19-32,59H,1-6H3;/q;-1;.
What are the key properties of 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?
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 has a molecular weight of 1767.95 g/mol, XLogP of 28.22, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160792148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).