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

C26H17N4O2Pt- — CID 153280231

IUPAC2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc(-c2[c-]c(Oc3ccccn3)ccc2)nc(-c2ccccc2)n1.[Pt]
InChIInChI=1S/C26H17N4O2.Pt/c31-22-14-5-4-13-21(22)26-29-24(18-9-2-1-3-10-18)28-25(30-26)19-11-8-12-20(17-19)32-23-15-6-7-16-27-23;/h1-16,31H;/q-1;
InChIKeyMLABFPLCOGLJCX-UHFFFAOYSA-N
MW612.53 g/mol
LogP5.56
Rot. Bonds5

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

2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280231) has the molecular formula C26H17N4O2Pt- and a molecular weight of 612.53 g/mol. Its IUPAC name is 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
PubChem CID153280231
Molecular FormulaC26H17N4O2Pt-
Molecular Weight612.53 g/mol
Exact Mass612.10
IUPAC Name2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc(-c2[c-]c(Oc3ccccn3)ccc2)nc(-c2ccccc2)n1.[Pt]
InChIInChI=1S/C26H17N4O2.Pt/c31-22-14-5-4-13-21(22)26-29-24(18-9-2-1-3-10-18)28-25(30-26)19-11-8-12-20(17-19)32-23-15-6-7-16-27-23;/h1-16,31H;/q-1;
InChIKeyMLABFPLCOGLJCX-UHFFFAOYSA-N
XLogP5.56
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.53
LogP ≤ 55.56
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-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
The IUPAC name of 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (CID 153280231) is 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is Oc1ccccc1-c1nc(-c2[c-]c(Oc3ccccn3)ccc2)nc(-c2ccccc2)n1.[Pt].
What is the InChIKey of 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
The InChIKey is MLABFPLCOGLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N4O2.Pt/c31-22-14-5-4-13-21(22)26-29-24(18-9-2-1-3-10-18)28-25(30-26)19-11-8-12-20(17-19)32-23-15-6-7-16-27-23;/h1-16,31H;/q-1;.
What are the key properties of 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 612.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).