4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum

C33H23N4OPtS-3 — CID 153431717

IUPAC4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum
SMILESCN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)cc3c2sc2ccccc23)[CH-]1.[Pt]
InChIInChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)30-22-26(21-29-28-14-5-6-15-31(28)39-33(29)30)37(24-10-3-2-4-11-24)25-12-9-13-27(20-25)38-32-16-7-8-17-34-32;/h2-19,21,23H,1H3;/q-3;
InChIKeyCSXDYHADVLXSKY-UHFFFAOYSA-N
MW718.72 g/mol
LogP8.65
Rot. Bonds6

About 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum

4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum (PubChem CID 153431717) has the molecular formula C33H23N4OPtS-3 and a molecular weight of 718.72 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum
PubChem CID153431717
Molecular FormulaC33H23N4OPtS-3
Molecular Weight718.72 g/mol
Exact Mass718.13
IUPAC Name4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum
SMILESCN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)cc3c2sc2ccccc23)[CH-]1.[Pt]
InChIInChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)30-22-26(21-29-28-14-5-6-15-31(28)39-33(29)30)37(24-10-3-2-4-11-24)25-12-9-13-27(20-25)38-32-16-7-8-17-34-32;/h2-19,21,23H,1H3;/q-3;
InChIKeyCSXDYHADVLXSKY-UHFFFAOYSA-N
XLogP8.65
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.72
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]isoquinoline
CID 66884673
2-[3-[1-(2-ethoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
CID 69654330
2-[3-[(1S)-1-(2-ethoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
CID 69654335
2-(3H-dibenzothiophen-3-id-4-yl)-6-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum
CID 145840012
8-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;platinum(2+)
CID 145840127
6-(3H-dibenzothiophen-3-id-4-yl)-N-[6-(phenoxy)-2-pyridinyl]-N-phenylpyridin-2-amine;platinum(2+)
CID 145840137
2-(3H-dibenzothiophen-3-id-4-yl)-6-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)
CID 145840180
2-(3H-dibenzothiophen-3-id-4-yl)-6-[3-[1-[2,6-di(propan-2-yl)phenyl]-4H-imidazol-1-ium-4-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
CID 145840215
8-[6-[(6-phenyl-2-pyridinyl)oxy]-2-pyridinyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;platinum(2+)
CID 145840252
2-(3H-dibenzothiophen-3-id-4-yl)-6-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
CID 145840260
2-(3H-dibenzothiophen-3-id-4-yl)-6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum
CID 145840286
2-[[6-(3H-dibenzothiophen-3-id-4-yl)-2-pyridinyl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 145840314

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum?
The IUPAC name of 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum (CID 153431717) is 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum?
The canonical SMILES for 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum is CN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)cc3c2sc2ccccc23)[CH-]1.[Pt].
What is the InChIKey of 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum?
The InChIKey is CSXDYHADVLXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)30-22-26(21-29-28-14-5-6-15-31(28)39-33(29)30)37(24-10-3-2-4-11-24)25-12-9-13-27(20-25)38-32-16-7-8-17-34-32;/h2-19,21,23H,1H3;/q-3;.
What are the key properties of 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum?
4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum has a molecular weight of 718.72 g/mol, XLogP of 8.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-2-amine;platinum is sourced from PubChem (CID 153431717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).