1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))

C122H100F5N20O4Pt5- — CID 161345926

IUPAC1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1.CCC(CC)(c1cccc(-c2[c-]cccc2)n1)c1cn(C)c(-c2[c-]cccc2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C33H22N4O2.C26H25N3.C23H22N4.C21H17F3N6.C19H14F2N3O2.5Pt/c1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;1-4-26(5-2,23-18-12-17-22(27-23)20-13-8-6-9-14-20)24-19-29(3)25(28-24)21-15-10-7-11-16-21;1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;;;;;/h3-10,13-20H,1-2H3;6-13,15,17-19H,4-5H2,1-3H3;5-11,13,15-16H,1-4H3;4-11H,1-3H3;3-8,10H,1-2H3,(H,25,26);;;;;/q4*-2;-1;;4*+2
InChIKeyNGGMYPRWXAJEJP-UHFFFAOYSA-N
MW2980.66 g/mol
LogP25.78
Rot. Bonds22

About 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))

1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)) (PubChem CID 161345926) has the molecular formula C122H100F5N20O4Pt5- and a molecular weight of 2980.66 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)).

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))
PubChem CID161345926
Molecular FormulaC122H100F5N20O4Pt5-
Molecular Weight2980.66 g/mol
Exact Mass2978.64
IUPAC Name1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1.CCC(CC)(c1cccc(-c2[c-]cccc2)n1)c1cn(C)c(-c2[c-]cccc2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C33H22N4O2.C26H25N3.C23H22N4.C21H17F3N6.C19H14F2N3O2.5Pt/c1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;1-4-26(5-2,23-18-12-17-22(27-23)20-13-8-6-9-14-20)24-19-29(3)25(28-24)21-15-10-7-11-16-21;1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;;;;;/h3-10,13-20H,1-2H3;6-13,15,17-19H,4-5H2,1-3H3;5-11,13,15-16H,1-4H3;4-11H,1-3H3;3-8,10H,1-2H3,(H,25,26);;;;;/q4*-2;-1;;4*+2
InChIKeyNGGMYPRWXAJEJP-UHFFFAOYSA-N
XLogP25.78
TPSA265.66 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002980.66
LogP ≤ 525.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))?
The IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)) (CID 161345926) is 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)).
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)) is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1.CCC(CC)(c1cccc(-c2[c-]cccc2)n1)c1cn(C)c(-c2[c-]cccc2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))?
The InChIKey is NGGMYPRWXAJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O2.C26H25N3.C23H22N4.C21H17F3N6.C19H14F2N3O2.5Pt/c1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;1-4-26(5-2,23-18-12-17-22(27-23)20-13-8-6-9-14-20)24-19-29(3)25(28-24)21-15-10-7-11-16-21;1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;;;;;/h3-10,13-20H,1-2H3;6-13,15,17-19H,4-5H2,1-3H3;5-11,13,15-16H,1-4H3;4-11H,1-3H3;3-8,10H,1-2H3,(H,25,26);;;;;/q4*-2;-1;;4*+2.
What are the key properties of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))?
1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)) has a molecular weight of 2980.66 g/mol, XLogP of 25.78, 22 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+)) is sourced from PubChem (CID 161345926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).