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

C33H20N3O2PtS2-3 — CID 153432004

IUPAC2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(Oc4ccccn4)cc4c3sc3ccccc34)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C33H20N3O2S2.Pt/c1-35-14-15-36(20-35)21-16-25-23-8-2-4-10-29(23)39-32(25)27(17-21)38-28-19-22(37-31-12-6-7-13-34-31)18-26-24-9-3-5-11-30(24)40-33(26)28;/h2-16,18,20H,1H3;/q-3;
InChIKeyVBNGNDOMZTZSQM-UHFFFAOYSA-N
MW749.75 g/mol
LogP9.34
Rot. Bonds5

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

2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum (PubChem CID 153432004) has the molecular formula C33H20N3O2PtS2-3 and a molecular weight of 749.75 g/mol. Its IUPAC name is 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum.

Molecular Properties

Compound Name2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum
PubChem CID153432004
Molecular FormulaC33H20N3O2PtS2-3
Molecular Weight749.75 g/mol
Exact Mass749.07
IUPAC Name2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(Oc4ccccn4)cc4c3sc3ccccc34)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C33H20N3O2S2.Pt/c1-35-14-15-36(20-35)21-16-25-23-8-2-4-10-29(23)39-32(25)27(17-21)38-28-19-22(37-31-12-6-7-13-34-31)18-26-24-9-3-5-11-30(24)40-33(26)28;/h2-16,18,20H,1H3;/q-3;
InChIKeyVBNGNDOMZTZSQM-UHFFFAOYSA-N
XLogP9.34
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.75
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

2-[[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-4-amine;N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;N-phenyl-2-pyridin-2-yloxy-N-(2-pyridin-2-yloxy-3H-dibenzothiophen-3-id-4-yl)-3H-dibenzothiophen-3-id-4-amine;platinum;tris(platinum(2+));2-[[4-[(2-pyridin-2-yloxy-3H-dibenzothiophen-3-id-4-yl)oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine
CID 157447036
2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum
CID 153431967
10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum
CID 153495013
5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum
CID 153494980
2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
CID 154592372
1-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxy-2H-dibenzofuran-2-id-1-yl)-2H-dibenzofuran-2-id-3-amine;platinum
CID 153431779
2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 169021355
N-[3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)-2H-dibenzofuran-2-id-1-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
CID 153431938
platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
CID 176783160
9-[3-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum
CID 160928566
chloroplatinum;6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-ide;platinum
CID 168758477
1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)
CID 164816533

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum?
The IUPAC name of 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum (CID 153432004) is 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum.
What is the SMILES notation for 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum?
The canonical SMILES for 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(Oc4ccccn4)cc4c3sc3ccccc34)c3sc4ccccc4c3c2)[CH-]1.[Pt].
What is the InChIKey of 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum?
The InChIKey is VBNGNDOMZTZSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N3O2S2.Pt/c1-35-14-15-36(20-35)21-16-25-23-8-2-4-10-29(23)39-32(25)27(17-21)38-28-19-22(37-31-12-6-7-13-34-31)18-26-24-9-3-5-11-30(24)40-33(26)28;/h2-16,18,20H,1H3;/q-3;.
What are the key properties of 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum?
2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum has a molecular weight of 749.75 g/mol, XLogP of 9.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum is sourced from PubChem (CID 153432004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).