4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

C70H66N3OPt- — CID 164713063

IUPAC4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
SMILES[2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(c7ccccc7)c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.[Pt]
InChIInChI=1S/C70H66N3O.Pt/c1-68(2,3)57-35-37-65(74)61(46-57)67-72-66-59(28-19-29-64(66)73(67)63-36-30-48(40-47-20-17-18-21-47)41-60(63)50-22-11-8-12-23-50)52-42-53(44-58(43-52)69(4,5)6)62-45-51(38-39-71-62)49-31-33-56(34-32-49)70(7,54-24-13-9-14-25-54)55-26-15-10-16-27-55;/h8-16,19,22-39,41,43-47,74H,17-18,20-21,40H2,1-7H3;/q-1;/i40D2;
InChIKeyJYNPWFRJRNYIIW-SRYWVZJHSA-N
MW1162.41 g/mol
LogP17.94
Rot. Bonds11

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164713063) has the molecular formula C70H66N3OPt- and a molecular weight of 1162.41 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
PubChem CID164713063
Molecular FormulaC70H66N3OPt-
Molecular Weight1162.41 g/mol
Exact Mass1161.50
IUPAC Name4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
SMILES[2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(c7ccccc7)c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.[Pt]
InChIInChI=1S/C70H66N3O.Pt/c1-68(2,3)57-35-37-65(74)61(46-57)67-72-66-59(28-19-29-64(66)73(67)63-36-30-48(40-47-20-17-18-21-47)41-60(63)50-22-11-8-12-23-50)52-42-53(44-58(43-52)69(4,5)6)62-45-51(38-39-71-62)49-31-33-56(34-32-49)70(7,54-24-13-9-14-25-54)55-26-15-10-16-27-55;/h8-16,19,22-39,41,43-47,74H,17-18,20-21,40H2,1-7H3;/q-1;/i40D2;
InChIKeyJYNPWFRJRNYIIW-SRYWVZJHSA-N
XLogP17.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.41
LogP ≤ 517.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
CID 164713501
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
CID 176593525
4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164713183
2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum
CID 164713302
2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164713060
2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713266
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 164713676
2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum
CID 164713451
3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum
CID 162783110
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713637
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164713433
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164713257

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (CID 164713063) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(c7ccccc7)c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.[Pt].
What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is JYNPWFRJRNYIIW-SRYWVZJHSA-N. The full InChI is InChI=1S/C70H66N3O.Pt/c1-68(2,3)57-35-37-65(74)61(46-57)67-72-66-59(28-19-29-64(66)73(67)63-36-30-48(40-47-20-17-18-21-47)41-60(63)50-22-11-8-12-23-50)52-42-53(44-58(43-52)69(4,5)6)62-45-51(38-39-71-62)49-31-33-56(34-32-49)70(7,54-24-13-9-14-25-54)55-26-15-10-16-27-55;/h8-16,19,22-39,41,43-47,74H,17-18,20-21,40H2,1-7H3;/q-1;/i40D2;.
What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1162.41 g/mol, XLogP of 17.94, 11 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-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164713063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).