2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C47H57F3N3OPt- — CID 169302073

IUPAC2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(C3CCCC3CC(F)(F)F)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3C(C)(C)C)c1.[Pt]
InChIInChI=1S/C47H57F3N3O.Pt/c1-43(2,3)32-22-30(21-31(23-32)38-24-28(19-20-51-38)34-16-13-15-29(34)27-47(48,49)50)35-17-14-18-39-40(35)52-42(53(39)46(10,11)12)36-25-33(44(4,5)6)26-37(41(36)54)45(7,8)9;/h14,17-20,22-26,29,34,54H,13,15-16,27H2,1-12H3;/q-1;
InChIKeyOGLBEQKXSPBUHD-UHFFFAOYSA-N
MW932.06 g/mol
LogP13.42
Rot. Bonds5

About 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 169302073) has the molecular formula C47H57F3N3OPt- and a molecular weight of 932.06 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID169302073
Molecular FormulaC47H57F3N3OPt-
Molecular Weight932.06 g/mol
Exact Mass931.41
IUPAC Name2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(C3CCCC3CC(F)(F)F)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3C(C)(C)C)c1.[Pt]
InChIInChI=1S/C47H57F3N3O.Pt/c1-43(2,3)32-22-30(21-31(23-32)38-24-28(19-20-51-38)34-16-13-15-29(34)27-47(48,49)50)35-17-14-18-39-40(35)52-42(53(39)46(10,11)12)36-25-33(44(4,5)6)26-37(41(36)54)45(7,8)9;/h14,17-20,22-26,29,34,54H,13,15-16,27H2,1-12H3;/q-1;
InChIKeyOGLBEQKXSPBUHD-UHFFFAOYSA-N
XLogP13.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.06
LogP ≤ 513.42
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

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
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-(trifluoromethyl)phenol
CID 168288168
2-[3-[3-(Trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol;ZINC
CID 136066844
2,6-Dimethyl-4-[3-[3-(trifluoromethyl)pyrrolidin-1-yl]quinoxalin-6-yl]phenol
CID 136377832
2,6-Dimethyl-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-6-yl]phenol
CID 136452808
2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)phenyl]-4-(trifluoromethyl)pyridin-2-yl]benzimidazol-2-yl]phenol
CID 137293660
2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)phenyl]-4-(trifluoromethyl)-2-pyridinyl]benzimidazol-2-yl]phenol;platinum
CID 160792148
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-fluorophenyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164518279

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 169302073) is 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(C3CCCC3CC(F)(F)F)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3C(C)(C)C)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is OGLBEQKXSPBUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H57F3N3O.Pt/c1-43(2,3)32-22-30(21-31(23-32)38-24-28(19-20-51-38)34-16-13-15-29(34)27-47(48,49)50)35-17-14-18-39-40(35)52-42(53(39)46(10,11)12)36-25-33(44(4,5)6)26-37(41(36)54)45(7,8)9;/h14,17-20,22-26,29,34,54H,13,15-16,27H2,1-12H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 932.06 g/mol, XLogP of 13.42, 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-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 169302073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).