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;platinum

C39H25N4OPtS2-3 — CID 153431733

IUPAC2-(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;platinum
SMILESCN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)c4sc5ccccc5c4c3)c3ccccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(23-27)43(26-11-3-2-4-12-26)28-22-32-30-14-6-8-16-36(30)46-39(32)34(24-28)44-37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;
InChIKeyVTWWVXVSFHTPAU-UHFFFAOYSA-N
MW824.87 g/mol
LogP11.02
Rot. Bonds6

About 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;platinum

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;platinum (PubChem CID 153431733) has the molecular formula C39H25N4OPtS2-3 and a molecular weight of 824.87 g/mol. Its IUPAC name is 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;platinum.

Molecular Properties

Compound Name2-(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;platinum
PubChem CID153431733
Molecular FormulaC39H25N4OPtS2-3
Molecular Weight824.87 g/mol
Exact Mass824.11
IUPAC Name2-(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;platinum
SMILESCN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)c4sc5ccccc5c4c3)c3ccccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(23-27)43(26-11-3-2-4-12-26)28-22-32-30-14-6-8-16-36(30)46-39(32)34(24-28)44-37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;
InChIKeyVTWWVXVSFHTPAU-UHFFFAOYSA-N
XLogP11.02
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.87
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]ethyl]pyridin-3-amine
CID 21182845
5-[[6-Methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 21182870
5-(Benzo[b]thiophen-2-yl)pyrid-2-yl 2-(1-pyrrolidinyl)ethyl ether
CID 21182907
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
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
2-[[6-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-yl-2-pyridinyl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 145840334
2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzothiophen-3-id-4-yl)-3H-dibenzothiophen-3-id-4-amine;platinum
CID 153431703
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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;platinum?
The IUPAC name of 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;platinum (CID 153431733) is 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;platinum.
What is the SMILES notation for 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;platinum?
The canonical SMILES for 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;platinum is CN1C=CN(c2[c-]c(N(c3[c-]c(Oc4ccccn4)c4sc5ccccc5c4c3)c3ccccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt].
What is the InChIKey of 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;platinum?
The InChIKey is VTWWVXVSFHTPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(23-27)43(26-11-3-2-4-12-26)28-22-32-30-14-6-8-16-36(30)46-39(32)34(24-28)44-37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;.
What are the key properties of 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;platinum?
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;platinum has a molecular weight of 824.87 g/mol, XLogP of 11.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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;platinum is sourced from PubChem (CID 153431733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).