2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum

C64H64N3OPt- — CID 153478519

IUPAC2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
InChIInChI=1S/C64H64N3O.Pt/c1-39(2)47-32-48(40(3)4)34-50(33-47)45-23-26-58(42(6)31-45)67-59-20-16-19-54(60(59)66-62(67)55-29-41(5)30-56(61(55)68)64(10,11)12)51-35-49(43-17-14-13-15-18-43)36-52(37-51)57-38-46(27-28-65-57)44-21-24-53(25-22-44)63(7,8)9;/h13-36,38-40,68H,1-12H3;/q-1;/i6D3,7D3,8D3,9D3,39D,40D;
InChIKeyPOKUVFMZQDRYEJ-RQZMHOFNSA-N
MW1100.40 g/mol
LogP17.38
Rot. Bonds10

About 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum (PubChem CID 153478519) has the molecular formula C64H64N3OPt- and a molecular weight of 1100.40 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum.

Molecular Properties

Compound Name2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum
PubChem CID153478519
Molecular FormulaC64H64N3OPt-
Molecular Weight1100.40 g/mol
Exact Mass1099.56
IUPAC Name2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
InChIInChI=1S/C64H64N3O.Pt/c1-39(2)47-32-48(40(3)4)34-50(33-47)45-23-26-58(42(6)31-45)67-59-20-16-19-54(60(59)66-62(67)55-29-41(5)30-56(61(55)68)64(10,11)12)51-35-49(43-17-14-13-15-18-43)36-52(37-51)57-38-46(27-28-65-57)44-21-24-53(25-22-44)63(7,8)9;/h13-36,38-40,68H,1-12H3;/q-1;/i6D3,7D3,8D3,9D3,39D,40D;
InChIKeyPOKUVFMZQDRYEJ-RQZMHOFNSA-N
XLogP17.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.40
LogP ≤ 517.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum?
The IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum (CID 153478519) is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum.
What is the SMILES notation for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum?
The canonical SMILES for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum is [2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].
What is the InChIKey of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum?
The InChIKey is POKUVFMZQDRYEJ-RQZMHOFNSA-N. The full InChI is InChI=1S/C64H64N3O.Pt/c1-39(2)47-32-48(40(3)4)34-50(33-47)45-23-26-58(42(6)31-45)67-59-20-16-19-54(60(59)66-62(67)55-29-41(5)30-56(61(55)68)64(10,11)12)51-35-49(43-17-14-13-15-18-43)36-52(37-51)57-38-46(27-28-65-57)44-21-24-53(25-22-44)63(7,8)9;/h13-36,38-40,68H,1-12H3;/q-1;/i6D3,7D3,8D3,9D3,39D,40D;.
What are the key properties of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum?
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum has a molecular weight of 1100.40 g/mol, XLogP of 17.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum is sourced from PubChem (CID 153478519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).