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

C35H27N4OPtS- — CID 153280189

IUPAC2-[4-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESCc1cc(C)c(-c2nc(-c3[c-]c(Sc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
InChIInChI=1S/C35H27N4OS.Pt/c1-22-17-23(2)32(24(3)18-22)35-38-33(37-34(39-35)29-13-7-8-14-30(29)40)27-19-26(25-11-5-4-6-12-25)20-28(21-27)41-31-15-9-10-16-36-31;/h4-20,40H,1-3H3;/q-1;
InChIKeyXOOSOLHQCFWHOP-UHFFFAOYSA-N
MW746.77 g/mol
LogP8.51
Rot. Bonds6

About 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

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 (PubChem CID 153280189) has the molecular formula C35H27N4OPtS- and a molecular weight of 746.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
PubChem CID153280189
Molecular FormulaC35H27N4OPtS-
Molecular Weight746.77 g/mol
Exact Mass746.16
IUPAC Name2-[4-(3-phenyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESCc1cc(C)c(-c2nc(-c3[c-]c(Sc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
InChIInChI=1S/C35H27N4OS.Pt/c1-22-17-23(2)32(24(3)18-22)35-38-33(37-34(39-35)29-13-7-8-14-30(29)40)27-19-26(25-11-5-4-6-12-25)20-28(21-27)41-31-15-9-10-16-36-31;/h4-20,40H,1-3H3;/q-1;
InChIKeyXOOSOLHQCFWHOP-UHFFFAOYSA-N
XLogP8.51
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.77
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c(-c2nc(-c3[c-]c(Sc4ccccn4)cc(-c4ccccc4)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt].
What is the InChIKey of 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?
The InChIKey is XOOSOLHQCFWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N4OS.Pt/c1-22-17-23(2)32(24(3)18-22)35-38-33(37-34(39-35)29-13-7-8-14-30(29)40)27-19-26(25-11-5-4-6-12-25)20-28(21-27)41-31-15-9-10-16-36-31;/h4-20,40H,1-3H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 746.77 g/mol, XLogP of 8.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153280189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).