2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum

C41H38N3O2Pt- — CID 153280372

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(Oc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C41H38N3O2.Pt/c1-40(2,3)31-21-30(22-32(25-31)41(4,5)6)36-26-35(43-39(44-36)34-16-10-11-17-37(34)45)29-20-28(27-14-8-7-9-15-27)23-33(24-29)46-38-18-12-13-19-42-38;/h7-23,25-26,45H,1-6H3;/q-1;
InChIKeyPXWFEJQYFIUOFO-UHFFFAOYSA-N
MW799.85 g/mol
LogP10.43
Rot. Bonds6

About 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum

2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum (PubChem CID 153280372) has the molecular formula C41H38N3O2Pt- and a molecular weight of 799.85 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
PubChem CID153280372
Molecular FormulaC41H38N3O2Pt-
Molecular Weight799.85 g/mol
Exact Mass799.26
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(Oc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C41H38N3O2.Pt/c1-40(2,3)31-21-30(22-32(25-31)41(4,5)6)36-26-35(43-39(44-36)34-16-10-11-17-37(34)45)29-20-28(27-14-8-7-9-15-27)23-33(24-29)46-38-18-12-13-19-42-38;/h7-23,25-26,45H,1-6H3;/q-1;
InChIKeyPXWFEJQYFIUOFO-UHFFFAOYSA-N
XLogP10.43
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.85
LogP ≤ 510.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,5-ditert-butylphenyl)-6-(3-naphthalen-1-yl-5-pyridin-2-yloxyphenyl)pyrimidin-2-yl]phenol
CID 153280266
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)pyrimidin-2-yl]phenol;platinum
CID 153280348
2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164743217
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 153304201
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2-[2-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol;2-[2-(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum;2-[2-(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol
CID 161274499
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-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280248
2-[4-(3,5-ditert-butylphenyl)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999
2-[6-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 153304018
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum (CID 153280372) is 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(Oc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum?
The InChIKey is PXWFEJQYFIUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N3O2.Pt/c1-40(2,3)31-21-30(22-32(25-31)41(4,5)6)36-26-35(43-39(44-36)34-16-10-11-17-37(34)45)29-20-28(27-14-8-7-9-15-27)23-33(24-29)46-38-18-12-13-19-42-38;/h7-23,25-26,45H,1-6H3;/q-1;.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum?
2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum has a molecular weight of 799.85 g/mol, XLogP of 10.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum is sourced from PubChem (CID 153280372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).