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

C59H47F3N3OPt- — CID 177111034

IUPAC4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(C(F)(F)F)cc6c(-c7ccccc7)ccnc56)ccc4)cc(-c4cccc5ccccc45)cc32)cc1.[Pt]
InChIInChI=1S/C59H47F3N3O.Pt/c1-57(2,3)41-22-25-44(26-23-41)65-52-32-40(46-21-13-17-37-16-10-11-20-45(37)46)31-48(55(52)64-56(65)51-33-42(58(4,5)6)24-27-53(51)66)38-18-12-19-39(30-38)49-34-43(59(60,61)62)35-50-47(28-29-63-54(49)50)36-14-8-7-9-15-36;/h7-29,31-35,66H,1-6H3;/q-1;
InChIKeyPDNRJHSSQOBSNW-UHFFFAOYSA-N
MW1066.12 g/mol
LogP16.18
Rot. Bonds6

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

4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177111034) has the molecular formula C59H47F3N3OPt- and a molecular weight of 1066.12 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID177111034
Molecular FormulaC59H47F3N3OPt-
Molecular Weight1066.12 g/mol
Exact Mass1065.33
IUPAC Name4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(C(F)(F)F)cc6c(-c7ccccc7)ccnc56)ccc4)cc(-c4cccc5ccccc45)cc32)cc1.[Pt]
InChIInChI=1S/C59H47F3N3O.Pt/c1-57(2,3)41-22-25-44(26-23-41)65-52-32-40(46-21-13-17-37-16-10-11-20-45(37)46)31-48(55(52)64-56(65)51-33-42(58(4,5)6)24-27-53(51)66)38-18-12-19-39(30-38)49-34-43(59(60,61)62)35-50-47(28-29-63-54(49)50)36-14-8-7-9-15-36;/h7-29,31-35,66H,1-6H3;/q-1;
InChIKeyPDNRJHSSQOBSNW-UHFFFAOYSA-N
XLogP16.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.12
LogP ≤ 516.18
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)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 177111034) is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(C(F)(F)F)cc6c(-c7ccccc7)ccnc56)ccc4)cc(-c4cccc5ccccc45)cc32)cc1.[Pt].
What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is PDNRJHSSQOBSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47F3N3O.Pt/c1-57(2,3)41-22-25-44(26-23-41)65-52-32-40(46-21-13-17-37-16-10-11-20-45(37)46)31-48(55(52)64-56(65)51-33-42(58(4,5)6)24-27-53(51)66)38-18-12-19-39(30-38)49-34-43(59(60,61)62)35-50-47(28-29-63-54(49)50)36-14-8-7-9-15-36;/h7-29,31-35,66H,1-6H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1066.12 g/mol, XLogP of 16.18, 6 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)-6-naphthalen-1-yl-4-[3-[4-phenyl-6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177111034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).