N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate

C203H153F12N29O17Ru4S13 — CID 160708084

IUPACN,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#Cc1cc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)c(C)s1.CC(C)(C)c1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C33H11F3N3S.C29H30F3N4.4C26H17N3O4S2.C19H17F3N3.C14H9F3N3O.4CNS.4Ru.9H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-23-29(26(2)40-28)27-21-22-30(37-25-27)31-24-32(39-38-31)33(34,35)36;1-27(2,3)19-7-11-21(12-8-19)36(22-13-9-20(10-14-22)28(4,5)6)23-15-16-24(33-18-23)25-17-26(35-34-25)29(30,31)32;4*1-16-2-3-25(35-16)26-9-18(13-34-26)17-4-6-27-21(8-17)23-11-20(33-15-31)12-24(29-23)22-10-19(32-14-30)5-7-28-22;1-18(2,3)14-7-4-12(5-8-14)13-6-9-15(23-11-13)16-10-17(25-24-16)19(20,21)22;1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;4*2-1-3;;;;;;;;;;;;;/h21-25H,1-2H3;7-18H,1-6H3;4*2-15H,1H3;4-11H,1-3H3;2-7H,1H3;;;;;;;;;9*1H/q2*-1;;;;;6*-1;4*+2;;;;;;;;;
InChIKeyRRMLOUYXWJNCLY-UHFFFAOYSA-N
MW4319.77 g/mol
LogP50.52
Rot. Bonds42

About N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate

N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate (PubChem CID 160708084) has the molecular formula C203H153F12N29O17Ru4S13 and a molecular weight of 4319.77 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate
PubChem CID160708084
Molecular FormulaC203H153F12N29O17Ru4S13
Molecular Weight4319.77 g/mol
Exact Mass4319.44
IUPAC NameN,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#Cc1cc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)c(C)s1.CC(C)(C)c1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C33H11F3N3S.C29H30F3N4.4C26H17N3O4S2.C19H17F3N3.C14H9F3N3O.4CNS.4Ru.9H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-23-29(26(2)40-28)27-21-22-30(37-25-27)31-24-32(39-38-31)33(34,35)36;1-27(2,3)19-7-11-21(12-8-19)36(22-13-9-20(10-14-22)28(4,5)6)23-15-16-24(33-18-23)25-17-26(35-34-25)29(30,31)32;4*1-16-2-3-25(35-16)26-9-18(13-34-26)17-4-6-27-21(8-17)23-11-20(33-15-31)12-24(29-23)22-10-19(32-14-30)5-7-28-22;1-18(2,3)14-7-4-12(5-8-14)13-6-9-15(23-11-13)16-10-17(25-24-16)19(20,21)22;1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;4*2-1-3;;;;;;;;;;;;;/h21-25H,1-2H3;7-18H,1-6H3;4*2-15H,1H3;4-11H,1-3H3;2-7H,1H3;;;;;;;;;9*1H/q2*-1;;;;;6*-1;4*+2;;;;;;;;;
InChIKeyRRMLOUYXWJNCLY-UHFFFAOYSA-N
XLogP50.52
TPSA630.18 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds42
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004319.77
LogP ≤ 550.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate with MolForge

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Related Compounds

4-(3-Decylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(furan-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780334
[2-[6-[4-[(E)-2-dibenzofuran-3-ylethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780340
N,N-bis(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[2-[3-(2-butyloctyl)thiophen-2-yl]ethynyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780419
N,N-bis(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780447
N-(4-tert-butylphenyl)-N-hexyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780480
N,N-diphenyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]thiophen-2-amine;2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate
CID 140822205
2-[4-Formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;5-(5-pyridin-2-ylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140822218
2-[4-Formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;5-(5-propoxythiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140822265
N,N-diphenyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]thiophen-3-amine;2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate
CID 140822278
[2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 153435222
[2-[4-Formyloxy-6-[4-[5-(7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 153435257
N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;[2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 153435309

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate (CID 160708084) is N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate is CC#CC#CC#CC#CC#CC#CC#CC#CC#Cc1cc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)c(C)s1.CC(C)(C)c1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate?
The InChIKey is RRMLOUYXWJNCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H11F3N3S.C29H30F3N4.4C26H17N3O4S2.C19H17F3N3.C14H9F3N3O.4CNS.4Ru.9H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-23-29(26(2)40-28)27-21-22-30(37-25-27)31-24-32(39-38-31)33(34,35)36;1-27(2,3)19-7-11-21(12-8-19)36(22-13-9-20(10-14-22)28(4,5)6)23-15-16-24(33-18-23)25-17-26(35-34-25)29(30,31)32;4*1-16-2-3-25(35-16)26-9-18(13-34-26)17-4-6-27-21(8-17)23-11-20(33-15-31)12-24(29-23)22-10-19(32-14-30)5-7-28-22;1-18(2,3)14-7-4-12(5-8-14)13-6-9-15(23-11-13)16-10-17(25-24-16)19(20,21)22;1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;4*2-1-3;;;;;;;;;;;;;/h21-25H,1-2H3;7-18H,1-6H3;4*2-15H,1H3;4-11H,1-3H3;2-7H,1H3;;;;;;;;;9*1H/q2*-1;;;;;6*-1;4*+2;;;;;;;;;.
What are the key properties of N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate?
N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate has a molecular weight of 4319.77 g/mol, XLogP of 50.52, 42 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methyl-5-nonadeca-1,3,5,7,9,11,13,15,17-nonaynylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;tetrakis(ruthenium(2+));tetraisothiocyanate is sourced from PubChem (CID 160708084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).