4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum

C57H57F3N3OPt- — CID 177109963

IUPAC4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum
SMILESCc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4)ccc3)cc(C(C(C)C)C(C)C)cc12.[Pt]
InChIInChI=1S/C57H57F3N3O.Pt/c1-33(2)51(34(3)4)40-29-45-35(5)25-26-61-52(45)46(30-40)37-13-12-14-38(27-37)47-28-39(36-15-17-42(18-16-36)57(58,59)60)31-49-53(47)62-54(48-32-43(56(9,10)11)21-24-50(48)64)63(49)44-22-19-41(20-23-44)55(6,7)8;/h12-26,28-34,51,64H,1-11H3;/q-1;
InChIKeyUAADTVOBINOMEE-UHFFFAOYSA-N
MW1052.17 g/mol
LogP16.06
Rot. Bonds8

About 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177109963) has the molecular formula C57H57F3N3OPt- and a molecular weight of 1052.17 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum
PubChem CID177109963
Molecular FormulaC57H57F3N3OPt-
Molecular Weight1052.17 g/mol
Exact Mass1051.41
IUPAC Name4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum
SMILESCc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4)ccc3)cc(C(C(C)C)C(C)C)cc12.[Pt]
InChIInChI=1S/C57H57F3N3O.Pt/c1-33(2)51(34(3)4)40-29-45-35(5)25-26-61-52(45)46(30-40)37-13-12-14-38(27-37)47-28-39(36-15-17-42(18-16-36)57(58,59)60)31-49-53(47)62-54(48-32-43(56(9,10)11)21-24-50(48)64)63(49)44-22-19-41(20-23-44)55(6,7)8;/h12-26,28-34,51,64H,1-11H3;/q-1;
InChIKeyUAADTVOBINOMEE-UHFFFAOYSA-N
XLogP16.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.17
LogP ≤ 516.06
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
2-Hydroxy-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 168282182
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-Fluoro-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168278577
2-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168284340

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 177109963) is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum is Cc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4)ccc3)cc(C(C(C)C)C(C)C)cc12.[Pt].
What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is UAADTVOBINOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57F3N3O.Pt/c1-33(2)51(34(3)4)40-29-45-35(5)25-26-61-52(45)46(30-40)37-13-12-14-38(27-37)47-28-39(36-15-17-42(18-16-36)57(58,59)60)31-49-53(47)62-54(48-32-43(56(9,10)11)21-24-50(48)64)63(49)44-22-19-41(20-23-44)55(6,7)8;/h12-26,28-34,51,64H,1-11H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1052.17 g/mol, XLogP of 16.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177109963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).