bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol

C38H32N6Pt2S2+4 — CID 10373822

IUPACbis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol
SMILESSCc1cccc(CS)c1.[Pt+2].[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.C8H10S2.2Pt/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;9-5-7-2-1-3-8(4-7)6-10;;/h2*1-11H;1-4,9-10H,5-6H2;;/q;;;2*+2
InChIKeyNFZUANMDUCMCAW-UHFFFAOYSA-N
MW1027.01 g/mol
LogP8.95
Rot. Bonds6

About bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol

bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol (PubChem CID 10373822) has the molecular formula C38H32N6Pt2S2+4 and a molecular weight of 1027.01 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol.

Molecular Properties

Compound Namebis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol
PubChem CID10373822
Molecular FormulaC38H32N6Pt2S2+4
Molecular Weight1027.01 g/mol
Exact Mass1026.14
IUPAC Namebis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol
SMILESSCc1cccc(CS)c1.[Pt+2].[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.C8H10S2.2Pt/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;9-5-7-2-1-3-8(4-7)6-10;;/h2*1-11H;1-4,9-10H,5-6H2;;/q;;;2*+2
InChIKeyNFZUANMDUCMCAW-UHFFFAOYSA-N
XLogP8.95
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.01
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
2-(4-bromo-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 10733853
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
cobalt(2+);bis(5-(2,6-dipyridin-2-yl-4-pyridinyl)pentane-1-thiol)
CID 139250043

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol?
The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol (CID 10373822) is bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol.
What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol?
The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol is SCc1cccc(CS)c1.[Pt+2].[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol?
The InChIKey is NFZUANMDUCMCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.C8H10S2.2Pt/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;9-5-7-2-1-3-8(4-7)6-10;;/h2*1-11H;1-4,9-10H,5-6H2;;/q;;;2*+2.
What are the key properties of bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol?
bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol has a molecular weight of 1027.01 g/mol, XLogP of 8.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol is sourced from PubChem (CID 10373822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).