2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C45H37N2O2Pt- — CID 164743217

IUPAC2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(Oc2cc(-c3ccc(Cc4ccccc4)cc3)ccn2)[c-]c(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c1.[Pt]
InChIInChI=1S/C45H37N2O2.Pt/c1-45(2,3)38-25-37(41-27-36(33-14-8-5-9-15-33)28-42(47-41)40-16-10-11-17-43(40)48)26-39(30-38)49-44-29-35(22-23-46-44)34-20-18-32(19-21-34)24-31-12-6-4-7-13-31;/h4-23,25,27-30,48H,24H2,1-3H3;/q-1;
InChIKeyKHPYVHXIARVVEA-UHFFFAOYSA-N
MW832.88 g/mol
LogP11.33
Rot. Bonds8

About 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 164743217) has the molecular formula C45H37N2O2Pt- and a molecular weight of 832.88 g/mol. Its IUPAC name is 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
PubChem CID164743217
Molecular FormulaC45H37N2O2Pt-
Molecular Weight832.88 g/mol
Exact Mass832.25
IUPAC Name2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(Oc2cc(-c3ccc(Cc4ccccc4)cc3)ccn2)[c-]c(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c1.[Pt]
InChIInChI=1S/C45H37N2O2.Pt/c1-45(2,3)38-25-37(41-27-36(33-14-8-5-9-15-33)28-42(47-41)40-16-10-11-17-43(40)48)26-39(30-38)49-44-29-35(22-23-46-44)34-20-18-32(19-21-34)24-31-12-6-4-7-13-31;/h4-23,25,27-30,48H,24H2,1-3H3;/q-1;
InChIKeyKHPYVHXIARVVEA-UHFFFAOYSA-N
XLogP11.33
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.88
LogP ≤ 511.33
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-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164743211
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-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
CID 153280372
2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol
CID 153303984
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
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(3-ethynylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 165162052
2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol
CID 164743090
2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
CID 153304045
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 153479869
2-[4-[3-benzyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4,6-ditert-butylphenol;platinum
CID 164743352
2-[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 153478053

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 164743217) is 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(Oc2cc(-c3ccc(Cc4ccccc4)cc3)ccn2)[c-]c(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c1.[Pt].
What is the InChIKey of 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?
The InChIKey is KHPYVHXIARVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N2O2.Pt/c1-45(2,3)38-25-37(41-27-36(33-14-8-5-9-15-33)28-42(47-41)40-16-10-11-17-43(40)48)26-39(30-38)49-44-29-35(22-23-46-44)34-20-18-32(19-21-34)24-31-12-6-4-7-13-31;/h4-23,25,27-30,48H,24H2,1-3H3;/q-1;.
What are the key properties of 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?
2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 832.88 g/mol, XLogP of 11.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164743217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).