2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C69H70F3N6OPt- — CID 171052097

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)[c-]c(-c2nc3cnc(C(F)(F)F)nc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
InChIInChI=1S/C69H70F3N6O.Pt/c1-64(2,3)45-29-31-55(50(36-45)41-23-18-16-19-24-41)77-57-28-22-27-49(58(57)75-61(77)52-38-48(67(10,11)12)39-53(59(52)79)68(13,14)15)43-33-44(35-47(34-43)66(7,8)9)60-74-54-40-73-63(69(70,71)72)76-62(54)78(60)56-32-30-46(65(4,5)6)37-51(56)42-25-20-17-21-26-42;/h16-32,34-40,79H,1-15H3;/q-1;
InChIKeyWXYCBDHWCBNBRJ-UHFFFAOYSA-N
MW1251.43 g/mol
LogP18.50
Rot. Bonds7

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 171052097) has the molecular formula C69H70F3N6OPt- and a molecular weight of 1251.43 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
PubChem CID171052097
Molecular FormulaC69H70F3N6OPt-
Molecular Weight1251.43 g/mol
Exact Mass1250.52
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)[c-]c(-c2nc3cnc(C(F)(F)F)nc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
InChIInChI=1S/C69H70F3N6O.Pt/c1-64(2,3)45-29-31-55(50(36-45)41-23-18-16-19-24-41)77-57-28-22-27-49(58(57)75-61(77)52-38-48(67(10,11)12)39-53(59(52)79)68(13,14)15)43-33-44(35-47(34-43)66(7,8)9)60-74-54-40-73-63(69(70,71)72)76-62(54)78(60)56-32-30-46(65(4,5)6)37-51(56)42-25-20-17-21-26-42;/h16-32,34-40,79H,1-15H3;/q-1;
InChIKeyWXYCBDHWCBNBRJ-UHFFFAOYSA-N
XLogP18.50
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.43
LogP ≤ 518.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
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-[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
2,4-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
CID 157462522
CID 157462522

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 171052097) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)[c-]c(-c2nc3cnc(C(F)(F)F)nc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is WXYCBDHWCBNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H70F3N6O.Pt/c1-64(2,3)45-29-31-55(50(36-45)41-23-18-16-19-24-41)77-57-28-22-27-49(58(57)75-61(77)52-38-48(67(10,11)12)39-53(59(52)79)68(13,14)15)43-33-44(35-47(34-43)66(7,8)9)60-74-54-40-73-63(69(70,71)72)76-62(54)78(60)56-32-30-46(65(4,5)6)37-51(56)42-25-20-17-21-26-42;/h16-32,34-40,79H,1-15H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1251.43 g/mol, XLogP of 18.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171052097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).