2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum

C27H18N3O2PtS-3 — CID 153431737

IUPAC2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(Oc4ccccn4)c4sc5ccccc5c4c3)ccc2)[CH-]1.[Pt]
InChIInChI=1S/C27H18N3O2S.Pt/c1-29-13-14-30(18-29)19-7-6-8-20(15-19)31-21-16-23-22-9-2-3-10-25(22)33-27(23)24(17-21)32-26-11-4-5-12-28-26;/h2-14,16,18H,1H3;/q-3;
InChIKeyRRSHPPIJILFWCQ-UHFFFAOYSA-N
MW643.61 g/mol
LogP6.97
Rot. Bonds5

About 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum

2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum (PubChem CID 153431737) has the molecular formula C27H18N3O2PtS-3 and a molecular weight of 643.61 g/mol. Its IUPAC name is 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum.

Molecular Properties

Compound Name2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum
PubChem CID153431737
Molecular FormulaC27H18N3O2PtS-3
Molecular Weight643.61 g/mol
Exact Mass643.08
IUPAC Name2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(Oc4ccccn4)c4sc5ccccc5c4c3)ccc2)[CH-]1.[Pt]
InChIInChI=1S/C27H18N3O2S.Pt/c1-29-13-14-30(18-29)19-7-6-8-20(15-19)31-21-16-23-22-9-2-3-10-25(22)33-27(23)24(17-21)32-26-11-4-5-12-28-26;/h2-14,16,18H,1H3;/q-3;
InChIKeyRRSHPPIJILFWCQ-UHFFFAOYSA-N
XLogP6.97
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.61
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum with MolForge

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Related Compounds

(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
6-methoxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137660689
2-Methoxy-5-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44142401
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]pyridine
CID 44202249
2-(2-Fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
CID 46947350
2-(3-Fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
CID 46947351
5-[6-(2-Fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
CID 46947352
2-(2-Fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine
CID 46947542
2-(3-Fluoropropoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine
CID 46947543
4-[6-(3-Fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
CID 46947545

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum?
The IUPAC name of 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum (CID 153431737) is 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum.
What is the SMILES notation for 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum?
The canonical SMILES for 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(Oc4ccccn4)c4sc5ccccc5c4c3)ccc2)[CH-]1.[Pt].
What is the InChIKey of 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum?
The InChIKey is RRSHPPIJILFWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N3O2S.Pt/c1-29-13-14-30(18-29)19-7-6-8-20(15-19)31-21-16-23-22-9-2-3-10-25(22)33-27(23)24(17-21)32-26-11-4-5-12-28-26;/h2-14,16,18H,1H3;/q-3;.
What are the key properties of 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum?
2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum has a molecular weight of 643.61 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;platinum is sourced from PubChem (CID 153431737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).