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

C35H26N3OPtS- — CID 153280285

IUPAC2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2[c-]c(Sc3ccccn3)cc(-c3ccccc3)c2)n1.[Pt]
InChIInChI=1S/C35H26N3OS.Pt/c1-23-11-10-12-24(2)34(23)31-22-30(29-15-6-7-16-32(29)39)37-35(38-31)27-19-26(25-13-4-3-5-14-25)20-28(21-27)40-33-17-8-9-18-36-33;/h3-20,22,39H,1-2H3;/q-1;
InChIKeyILHPCCGHNJZLID-UHFFFAOYSA-N
MW731.76 g/mol
LogP8.81
Rot. Bonds6

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

2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum (PubChem CID 153280285) has the molecular formula C35H26N3OPtS- and a molecular weight of 731.76 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum
PubChem CID153280285
Molecular FormulaC35H26N3OPtS-
Molecular Weight731.76 g/mol
Exact Mass731.14
IUPAC Name2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2[c-]c(Sc3ccccn3)cc(-c3ccccc3)c2)n1.[Pt]
InChIInChI=1S/C35H26N3OS.Pt/c1-23-11-10-12-24(2)34(23)31-22-30(29-15-6-7-16-32(29)39)37-35(38-31)27-19-26(25-13-4-3-5-14-25)20-28(21-27)40-33-17-8-9-18-36-33;/h3-20,22,39H,1-2H3;/q-1;
InChIKeyILHPCCGHNJZLID-UHFFFAOYSA-N
XLogP8.81
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.76
LogP ≤ 58.81
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-pyrimidin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 136012923
2-[5-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol
CID 137299719
4-(2,6-Diphenylpyrimidin-4-yl)-2-pyridin-2-ylphenol
CID 141753050
2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 147470155
2-[4-(3-Phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
CID 153280189
2,4-Di(propan-2-yl)-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol;platinum
CID 153280195
2-Tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;platinum
CID 153280197
2-[4-(2,6-Dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
CID 153280205
2-[4-Phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
CID 153280207
2,4-Ditert-butyl-6-[2-[3-[isoquinolin-3-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-4-yl]phenol;platinum
CID 153280211
2-[4-(3-Isoquinolin-1-ylsulfanylbenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum
CID 153280215
2-[4-(3-Isoquinolin-3-ylsulfanylbenzene-2-id-1-yl)-6-phenylpyrimidin-2-yl]phenol;platinum
CID 153280217

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum?
The IUPAC name of 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum (CID 153280285) is 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum.
What is the SMILES notation for 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum?
The canonical SMILES for 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum is Cc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2[c-]c(Sc3ccccn3)cc(-c3ccccc3)c2)n1.[Pt].
What is the InChIKey of 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum?
The InChIKey is ILHPCCGHNJZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N3OS.Pt/c1-23-11-10-12-24(2)34(23)31-22-30(29-15-6-7-16-32(29)39)37-35(38-31)27-19-26(25-13-4-3-5-14-25)20-28(21-27)40-33-17-8-9-18-36-33;/h3-20,22,39H,1-2H3;/q-1;.
What are the key properties of 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum?
2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum has a molecular weight of 731.76 g/mol, XLogP of 8.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylphenyl)-2-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)pyrimidin-4-yl]phenol;platinum is sourced from PubChem (CID 153280285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).