4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))

C210H175F9N18O2P6Ru3S2+6 — CID 157122151

IUPAC4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))
SMILESC[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C)cn2)[n-]n1.Cc1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C)cn2)[n-]n1.Cc1cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)c(C)cn2)[n-]n1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc2c(c1)oc1ccccc12.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc2c(c1)sc1ccccc12.[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C22H13F3N3O.C22H13F3N3S.C22H15F3N3.C22H16N3O.C22H16N3S.C22H18N3.6C13H13P.3Ru/c2*1-12-11-26-17(18-10-21(28-27-18)22(23,24)25)9-16(12)13-6-7-15-14-4-2-3-5-19(14)29-20(15)8-13;1-14-13-26-19(20-12-21(28-27-20)22(23,24)25)11-18(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2*1-13-12-23-19(20-9-14(2)24-25-20)11-18(13)15-7-8-17-16-5-3-4-6-21(16)26-22(17)10-15;1-15-14-23-21(22-12-16(2)24-25-22)13-20(15)19-10-8-18(9-11-19)17-6-4-3-5-7-17;6*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2-13H,1H3;2*3-12H,1-2H3;3-14H,1-2H3;6*2-11H,1H3;;;/q6*-1;;;;;;;3*+2/p+6
InChIKeyXCXZRKBVDPGJSG-UHFFFAOYSA-T
MW3707.00 g/mol
LogP49.19
Rot. Bonds26

About 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))

4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)) (PubChem CID 157122151) has the molecular formula C210H175F9N18O2P6Ru3S2+6 and a molecular weight of 3707.00 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)).

Molecular Properties

Compound Name4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))
PubChem CID157122151
Molecular FormulaC210H175F9N18O2P6Ru3S2+6
Molecular Weight3707.00 g/mol
Exact Mass3706.90
IUPAC Name4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))
SMILESC[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C)cn2)[n-]n1.Cc1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C)cn2)[n-]n1.Cc1cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)c(C)cn2)[n-]n1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc2c(c1)oc1ccccc12.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc2c(c1)sc1ccccc12.[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C22H13F3N3O.C22H13F3N3S.C22H15F3N3.C22H16N3O.C22H16N3S.C22H18N3.6C13H13P.3Ru/c2*1-12-11-26-17(18-10-21(28-27-18)22(23,24)25)9-16(12)13-6-7-15-14-4-2-3-5-19(14)29-20(15)8-13;1-14-13-26-19(20-12-21(28-27-20)22(23,24)25)11-18(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2*1-13-12-23-19(20-9-14(2)24-25-20)11-18(13)15-7-8-17-16-5-3-4-6-21(16)26-22(17)10-15;1-15-14-23-21(22-12-16(2)24-25-22)13-20(15)19-10-8-18(9-11-19)17-6-4-3-5-7-17;6*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2-13H,1H3;2*3-12H,1-2H3;3-14H,1-2H3;6*2-11H,1H3;;;/q6*-1;;;;;;;3*+2/p+6
InChIKeyXCXZRKBVDPGJSG-UHFFFAOYSA-T
XLogP49.19
TPSA265.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003707.00
LogP ≤ 549.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))?
The IUPAC name of 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)) (CID 157122151) is 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)).
What is the SMILES notation for 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))?
The canonical SMILES for 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)) is C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C)cn2)[n-]n1.Cc1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C)cn2)[n-]n1.Cc1cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)c(C)cn2)[n-]n1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc2c(c1)oc1ccccc12.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1-c1ccc2c(c1)sc1ccccc12.[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))?
The InChIKey is XCXZRKBVDPGJSG-UHFFFAOYSA-T. The full InChI is InChI=1S/C22H13F3N3O.C22H13F3N3S.C22H15F3N3.C22H16N3O.C22H16N3S.C22H18N3.6C13H13P.3Ru/c2*1-12-11-26-17(18-10-21(28-27-18)22(23,24)25)9-16(12)13-6-7-15-14-4-2-3-5-19(14)29-20(15)8-13;1-14-13-26-19(20-12-21(28-27-20)22(23,24)25)11-18(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2*1-13-12-23-19(20-9-14(2)24-25-20)11-18(13)15-7-8-17-16-5-3-4-6-21(16)26-22(17)10-15;1-15-14-23-21(22-12-16(2)24-25-22)13-20(15)19-10-8-18(9-11-19)17-6-4-3-5-7-17;6*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2-13H,1H3;2*3-12H,1-2H3;3-14H,1-2H3;6*2-11H,1H3;;;/q6*-1;;;;;;;3*+2/p+6.
What are the key properties of 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+))?
4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)) has a molecular weight of 3707.00 g/mol, XLogP of 49.19, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-dibenzothiophen-3-yl-5-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;hexakis(methyl(diphenyl)phosphanium);5-methyl-2-(5-methylpyrazol-2-id-3-yl)-4-(4-phenylphenyl)pyridine;5-methyl-4-(4-phenylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+)) is sourced from PubChem (CID 157122151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).