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

C54H51F3N3OPt- — CID 177111046

IUPAC4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-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)cc12.[Pt]
InChIInChI=1S/C54H51F3N3O.Pt/c1-32-24-25-58-48-42(32)30-40(53(8,9)10)31-44(48)35-13-11-12-34(26-35)43-27-36(33-14-16-38(17-15-33)54(55,56)57)28-46-49(43)59-50(45-29-39(52(5,6)7)20-23-47(45)61)60(46)41-21-18-37(19-22-41)51(2,3)4;/h11-25,27-31,61H,1-10H3;/q-1;
InChIKeyFMEHQXLYAHXUNL-UHFFFAOYSA-N
MW1010.09 g/mol
LogP14.96
Rot. Bonds5

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

4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177111046) has the molecular formula C54H51F3N3OPt- and a molecular weight of 1010.09 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum
PubChem CID177111046
Molecular FormulaC54H51F3N3OPt-
Molecular Weight1010.09 g/mol
Exact Mass1009.36
IUPAC Name4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-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)cc12.[Pt]
InChIInChI=1S/C54H51F3N3O.Pt/c1-32-24-25-58-48-42(32)30-40(53(8,9)10)31-44(48)35-13-11-12-34(26-35)43-27-36(33-14-16-38(17-15-33)54(55,56)57)28-46-49(43)59-50(45-29-39(52(5,6)7)20-23-47(45)61)60(46)41-21-18-37(19-22-41)51(2,3)4;/h11-25,27-31,61H,1-10H3;/q-1;
InChIKeyFMEHQXLYAHXUNL-UHFFFAOYSA-N
XLogP14.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.09
LogP ≤ 514.96
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-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 177111046) is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-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)cc12.[Pt].
What is the InChIKey of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is FMEHQXLYAHXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51F3N3O.Pt/c1-32-24-25-58-48-42(32)30-40(53(8,9)10)31-44(48)35-13-11-12-34(26-35)43-27-36(33-14-16-38(17-15-33)54(55,56)57)28-46-49(43)59-50(45-29-39(52(5,6)7)20-23-47(45)61)60(46)41-21-18-37(19-22-41)51(2,3)4;/h11-25,27-31,61H,1-10H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1010.09 g/mol, XLogP of 14.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-(4-tert-butylphenyl)-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177111046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).