2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum

C57H53N2OPt- — CID 164742424

IUPAC2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccc(C(C)(C)c5ccccc5)cc4)c3)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C57H53N2O.Pt/c1-55(2,3)48-36-49(54(60)50(37-48)56(4,5)6)53-35-43(39-20-14-10-15-21-39)34-52(59-53)45-31-42(40-24-26-47(27-25-40)57(7,8)46-22-16-11-17-23-46)30-44(32-45)51-33-41(28-29-58-51)38-18-12-9-13-19-38;/h9-31,33-37,60H,1-8H3;/q-1;
InChIKeySQATUSQKIJNCBR-UHFFFAOYSA-N
MW977.14 g/mol
LogP14.90
Rot. Bonds8

About 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum

2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 164742424) has the molecular formula C57H53N2OPt- and a molecular weight of 977.14 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID164742424
Molecular FormulaC57H53N2OPt-
Molecular Weight977.14 g/mol
Exact Mass976.38
IUPAC Name2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccc(C(C)(C)c5ccccc5)cc4)c3)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C57H53N2O.Pt/c1-55(2,3)48-36-49(54(60)50(37-48)56(4,5)6)53-35-43(39-20-14-10-15-21-39)34-52(59-53)45-31-42(40-24-26-47(27-25-40)57(7,8)46-22-16-11-17-23-46)30-44(32-45)51-33-41(28-29-58-51)38-18-12-9-13-19-38;/h9-31,33-37,60H,1-8H3;/q-1;
InChIKeySQATUSQKIJNCBR-UHFFFAOYSA-N
XLogP14.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.14
LogP ≤ 514.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164742670
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum
CID 164742530
2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
CID 162471850
2,4-ditert-butyl-6-[6-tert-butyl-9-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-tert-butyl-9-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[9-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;platinum
CID 158082555
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 167332166
2,4-ditert-butyl-6-[1-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 167332783
2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153479761
2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614220
bis(2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]benzimidazol-2-yl]phenol);2,4-ditert-butyl-6-[1-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;bis(2,4-ditert-butyl-6-[1-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol);2,4-ditert-butyl-6-[1-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 163722303
2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
CID 153476130
2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol
CID 164743090
2,4-ditert-butyl-6-[4-phenyl-6-[3-(N-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164743326

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum (CID 164742424) is 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccc(C(C)(C)c5ccccc5)cc4)c3)n2)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is SQATUSQKIJNCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53N2O.Pt/c1-55(2,3)48-36-49(54(60)50(37-48)56(4,5)6)53-35-43(39-20-14-10-15-21-39)34-52(59-53)45-31-42(40-24-26-47(27-25-40)57(7,8)46-22-16-11-17-23-46)30-44(32-45)51-33-41(28-29-58-51)38-18-12-9-13-19-38;/h9-31,33-37,60H,1-8H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 977.14 g/mol, XLogP of 14.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).