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

C39H25N4OPtS2-3 — CID 153431972

IUPACN-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)cc4c3sc3ccccc34)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)44-34-24-28(22-32-30-14-6-8-16-36(30)46-39(32)34)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;
InChIKeyBLZFCMLOMMSVTA-UHFFFAOYSA-N
MW824.87 g/mol
LogP11.02
Rot. Bonds6

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

N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum (PubChem CID 153431972) has the molecular formula C39H25N4OPtS2-3 and a molecular weight of 824.87 g/mol. Its IUPAC name is N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum.

Molecular Properties

Compound NameN-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
PubChem CID153431972
Molecular FormulaC39H25N4OPtS2-3
Molecular Weight824.87 g/mol
Exact Mass824.11
IUPAC NameN-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)cc4c3sc3ccccc34)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)44-34-24-28(22-32-30-14-6-8-16-36(30)46-39(32)34)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;
InChIKeyBLZFCMLOMMSVTA-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-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum with MolForge

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Launch Full Analysis

Related Compounds

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+);12-pyridin-2-yl-10-[(12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-id-10-yl)oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
CID 147287920
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 153428906
CID 153428906
platinum(2+);11-pyridin-2-yl-9-[(11-pyridin-2-yl-10H-[1]benzothiolo[3,2-b]carbazol-10-id-9-yl)oxy]-10H-[1]benzothiolo[3,2-b]carbazol-10-ide
CID 153429077
CID 153429102
CID 153429102
platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide
CID 153429134
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
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum?
The IUPAC name of N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum (CID 153431972) is N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum.
What is the SMILES notation for N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum?
The canonical SMILES for N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)cc4c3sc3ccccc34)c3sc4ccccc4c3c2)[CH-]1.[Pt].
What is the InChIKey of N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum?
The InChIKey is BLZFCMLOMMSVTA-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)44-34-24-28(22-32-30-14-6-8-16-36(30)46-39(32)34)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;.
What are the key properties of N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum?
N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-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-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum is sourced from PubChem (CID 153431972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).