2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum

C27H18N3OPtS- — CID 153280455

IUPAC2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
SMILESOc1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)cc(-c2ccccc2)n1.[Pt]
InChIInChI=1S/C27H18N3OS.Pt/c31-25-13-5-4-11-21(25)24-18-20(17-23(29-24)19-9-2-1-3-10-19)22-12-8-15-27(30-22)32-26-14-6-7-16-28-26;/h1-17,31H;/q-1;
InChIKeyCCQSTXOZLVHBMY-UHFFFAOYSA-N
MW627.61 g/mol
LogP6.53
Rot. Bonds5

About 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum

2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum (PubChem CID 153280455) has the molecular formula C27H18N3OPtS- and a molecular weight of 627.61 g/mol. Its IUPAC name is 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
PubChem CID153280455
Molecular FormulaC27H18N3OPtS-
Molecular Weight627.61 g/mol
Exact Mass627.08
IUPAC Name2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
SMILESOc1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)cc(-c2ccccc2)n1.[Pt]
InChIInChI=1S/C27H18N3OS.Pt/c31-25-13-5-4-11-21(25)24-18-20(17-23(29-24)19-9-2-1-3-10-19)22-12-8-15-27(30-22)32-26-14-6-7-16-28-26;/h1-17,31H;/q-1;
InChIKeyCCQSTXOZLVHBMY-UHFFFAOYSA-N
XLogP6.53
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.61
LogP ≤ 56.53
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

platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
CID 153280473
2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
CID 153280568
platinum;2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-2-pyridinyl]phenol
CID 153304165
platinum;2-[4-(6-pyridin-2-yloxy-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol
CID 153280343
2-[2-phenyl-5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]benzenethiol
CID 153280367
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
platinum;2-[4-[6-(N-pyridin-2-ylanilino)-2-pyridinyl]-3H-pyridin-3-id-2-yl]phenol
CID 153280501
platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
CID 153280573
2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
CID 58871037
2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol
CID 153304036
2-[6-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 153304018
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036

Frequently Asked Questions

What is the IUPAC name of 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum?
The IUPAC name of 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum (CID 153280455) is 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum.
What is the SMILES notation for 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum?
The canonical SMILES for 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum is Oc1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)cc(-c2ccccc2)n1.[Pt].
What is the InChIKey of 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum?
The InChIKey is CCQSTXOZLVHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N3OS.Pt/c31-25-13-5-4-11-21(25)24-18-20(17-23(29-24)19-9-2-1-3-10-19)22-12-8-15-27(30-22)32-26-14-6-7-16-28-26;/h1-17,31H;/q-1;.
What are the key properties of 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum?
2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum has a molecular weight of 627.61 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum is sourced from PubChem (CID 153280455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).