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

C46H41F3N3OPt- — CID 164701419

IUPAC2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
SMILESCc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C(F)(F)F)cc(-c3ccccc3)c2)cc1-c1ccccc1.[Pt]
InChIInChI=1S/C46H41F3N3O.Pt/c1-28-27-50-39(26-36(28)30-17-12-9-13-18-30)33-22-31(29-15-10-8-11-16-29)21-32(23-33)35-19-14-20-40-41(35)51-43(52(40)46(47,48)49)37-24-34(44(2,3)4)25-38(42(37)53)45(5,6)7;/h8-22,24-27,53H,1-7H3;/q-1;
InChIKeyYOJXZGBGQUUHLP-UHFFFAOYSA-N
MW903.93 g/mol
LogP12.65
Rot. Bonds5

About 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

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 (PubChem CID 164701419) has the molecular formula C46H41F3N3OPt- and a molecular weight of 903.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
PubChem CID164701419
Molecular FormulaC46H41F3N3OPt-
Molecular Weight903.93 g/mol
Exact Mass903.29
IUPAC Name2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
SMILESCc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C(F)(F)F)cc(-c3ccccc3)c2)cc1-c1ccccc1.[Pt]
InChIInChI=1S/C46H41F3N3O.Pt/c1-28-27-50-39(26-36(28)30-17-12-9-13-18-30)33-22-31(29-15-10-8-11-16-29)21-32(23-33)35-19-14-20-40-41(35)51-43(52(40)46(47,48)49)37-24-34(44(2,3)4)25-38(42(37)53)45(5,6)7;/h8-22,24-27,53H,1-7H3;/q-1;
InChIKeyYOJXZGBGQUUHLP-UHFFFAOYSA-N
XLogP12.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.93
LogP ≤ 512.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
4-(3-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl)phenol
CID 136126666
2,6-Difluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168269366
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168281720
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195
2,6-Dimethyl-4-(3-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 117769677
2-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168284340
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-(trifluoromethyl)phenol
CID 168288168
2-[3-[2-[3-(Trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 135925088

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C(F)(F)F)cc(-c3ccccc3)c2)cc1-c1ccccc1.[Pt].
What is the InChIKey of 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?
The InChIKey is YOJXZGBGQUUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41F3N3O.Pt/c1-28-27-50-39(26-36(28)30-17-12-9-13-18-30)33-22-31(29-15-10-8-11-16-29)21-32(23-33)35-19-14-20-40-41(35)51-43(52(40)46(47,48)49)37-24-34(44(2,3)4)25-38(42(37)53)45(5,6)7;/h8-22,24-27,53H,1-7H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 903.93 g/mol, XLogP of 12.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164701419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).