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

C33H23N4OPtS-3 — CID 153431725

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum
SMILESCN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)26-21-29-28-14-5-6-15-31(28)39-33(29)30(22-26)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;
InChIKeyUJXQXMODOKQJGO-UHFFFAOYSA-N
MW718.72 g/mol
LogP8.65
Rot. Bonds6

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

2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum (PubChem CID 153431725) has the molecular formula C33H23N4OPtS-3 and a molecular weight of 718.72 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum
PubChem CID153431725
Molecular FormulaC33H23N4OPtS-3
Molecular Weight718.72 g/mol
Exact Mass718.13
IUPAC Name2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum
SMILESCN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)26-21-29-28-14-5-6-15-31(28)39-33(29)30(22-26)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;
InChIKeyUJXQXMODOKQJGO-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum?
The IUPAC name of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum (CID 153431725) is 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum?
The canonical SMILES for 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum is CN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt].
What is the InChIKey of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum?
The InChIKey is UJXQXMODOKQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)26-21-29-28-14-5-6-15-31(28)39-33(29)30(22-26)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 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum?
2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-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 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)-3H-dibenzothiophen-3-id-4-amine;platinum is sourced from PubChem (CID 153431725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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