2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum

C27H20N5OPtS- — CID 153280205

IUPAC2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESCc1cc(-c2nc(-c3[c-]c(Sc4ccccn4)ccc3)nc(-c3ccccc3O)n2)cc(C)n1.[Pt]
InChIInChI=1S/C27H20N5OS.Pt/c1-17-14-20(15-18(2)29-17)26-30-25(31-27(32-26)22-10-3-4-11-23(22)33)19-8-7-9-21(16-19)34-24-12-5-6-13-28-24;/h3-15,33H,1-2H3;/q-1;
InChIKeyRXBINFRBHOEDMK-UHFFFAOYSA-N
MW657.64 g/mol
LogP5.93
Rot. Bonds5

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

2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280205) has the molecular formula C27H20N5OPtS- and a molecular weight of 657.64 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
PubChem CID153280205
Molecular FormulaC27H20N5OPtS-
Molecular Weight657.64 g/mol
Exact Mass657.10
IUPAC Name2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESCc1cc(-c2nc(-c3[c-]c(Sc4ccccn4)ccc3)nc(-c3ccccc3O)n2)cc(C)n1.[Pt]
InChIInChI=1S/C27H20N5OS.Pt/c1-17-14-20(15-18(2)29-17)26-30-25(31-27(32-26)22-10-3-4-11-23(22)33)19-8-7-9-21(16-19)34-24-12-5-6-13-28-24;/h3-15,33H,1-2H3;/q-1;
InChIKeyRXBINFRBHOEDMK-UHFFFAOYSA-N
XLogP5.93
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.64
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
The IUPAC name of 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) is 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is Cc1cc(-c2nc(-c3[c-]c(Sc4ccccn4)ccc3)nc(-c3ccccc3O)n2)cc(C)n1.[Pt].
What is the InChIKey of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
The InChIKey is RXBINFRBHOEDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N5OS.Pt/c1-17-14-20(15-18(2)29-17)26-30-25(31-27(32-26)22-10-3-4-11-23(22)33)19-8-7-9-21(16-19)34-24-12-5-6-13-28-24;/h3-15,33H,1-2H3;/q-1;.
What are the key properties of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum?
2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 657.64 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).