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

C39H25N4OPtS2-3 — CID 153431903

IUPACN-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4sc5ccccc5c4c3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-8-16-36(29)46-39(31)34(22-27)44-28-23-32-30-14-6-7-15-35(30)45-38(32)33(24-28)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-21,23,25H,1H3;/q-3;
InChIKeyPWLIDQQBTIWHHF-UHFFFAOYSA-N
MW824.87 g/mol
LogP11.02
Rot. Bonds6

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

N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum (PubChem CID 153431903) has the molecular formula C39H25N4OPtS2-3 and a molecular weight of 824.87 g/mol. Its IUPAC name is N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum.

Molecular Properties

Compound NameN-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
PubChem CID153431903
Molecular FormulaC39H25N4OPtS2-3
Molecular Weight824.87 g/mol
Exact Mass824.11
IUPAC NameN-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4sc5ccccc5c4c3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
InChIInChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-8-16-36(29)46-39(31)34(22-27)44-28-23-32-30-14-6-7-15-35(30)45-38(32)33(24-28)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-21,23,25H,1H3;/q-3;
InChIKeyPWLIDQQBTIWHHF-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'}

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

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Related Compounds

CID 59359015
CID 59359015
2-[2-[(E)-2-[7,7-dimethyl-10-(4-methyl-N-(4-methylphenyl)anilino)-3-thia-11-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile
CID 138500708
(2E)-2-[2-[(E)-2-[7,7-dimethyl-10-(4-methyl-N-(4-methylphenyl)anilino)-3-thia-11-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]ethenyl]-6-phenylpyran-4-ylidene]-2-isocyanoacetonitrile
CID 141650314
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
platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide
CID 153428866
CID 153429102
CID 153429102
N-[4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
CID 153431695
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
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;platinum(2+)
CID 153431709
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
N-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
CID 153431741

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
The IUPAC name of N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum (CID 153431903) is N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum.
What is the SMILES notation for N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
The canonical SMILES for N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4sc5ccccc5c4c3)c3sc4ccccc4c3c2)[CH-]1.[Pt].
What is the InChIKey of N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
The InChIKey is PWLIDQQBTIWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-8-16-36(29)46-39(31)34(22-27)44-28-23-32-30-14-6-7-15-35(30)45-38(32)33(24-28)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-21,23,25H,1H3;/q-3;.
What are the key properties of N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-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 N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum is sourced from PubChem (CID 153431903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).