N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate

C326H299F21N44O28Ru6S17 — CID 157326742

IUPACN,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.CCCCC(CC)CCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.Cc1cc(C)cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1cccc(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C35H41F6N5O2.3C32H29N3O4S2.C31H41F3N3O2.C29H30F3N4.3C26H17N3O4S2.C18H23F3N3.2C17H13F3N3.5CNS.6Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-25(27-22-31(45-43-27)34(36,37)38)42-26(21-24)28-23-32(46-44-28)35(39,40)41;3*1-3-4-5-6-7-23-14-21(2)40-32(23)31-9-8-30(41-31)22-10-12-33-26(15-22)28-17-25(39-20-37)18-29(35-28)27-16-24(38-19-36)11-13-34-27;1-3-5-7-9-11-13-20-38-27-16-15-17-28(39-21-14-12-10-8-6-4-2)30(27)24-18-19-35-25(22-24)26-23-29(37-36-26)31(32,33)34;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;3*1-16-2-3-25(34-16)26-5-4-24(35-26)17-6-8-27-20(10-17)22-12-19(33-15-31)13-23(29-22)21-11-18(32-14-30)7-9-28-21;1-3-5-6-13(4-2)7-8-14-9-10-22-15(11-14)16-12-17(24-23-16)18(19,20)21;1-10-5-11(2)7-13(6-10)12-3-4-21-14(8-12)15-9-16(23-22-15)17(18,19)20;1-10-4-3-5-11(2)16(10)12-6-7-21-13(8-12)14-9-15(23-22-14)17(18,19)20;5*2-1-3;;;;;;/h15-17,20-23H,3-14,18-19H2,1-2H3;3*8-20H,3-7H2,1-2H3;15-19,22-23H,3-14,20-21H2,1-2H3;7-18H,1-6H3;3*2-15H,1H3;9-13H,3-8H2,1-2H3;2*3-9H,1-2H3;;;;;;;;;;;/q-2;;;;2*-1;;;;8*-1;6*+2
InChIKeyBEUVNJZLWLNSBE-UHFFFAOYSA-N
MW6831.78 g/mol
LogP87.72
Rot. Bonds116

About N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate

N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate (PubChem CID 157326742) has the molecular formula C326H299F21N44O28Ru6S17 and a molecular weight of 6831.78 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate
PubChem CID157326742
Molecular FormulaC326H299F21N44O28Ru6S17
Molecular Weight6831.78 g/mol
Exact Mass6831.25
IUPAC NameN,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.CCCCC(CC)CCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.Cc1cc(C)cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1cccc(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C35H41F6N5O2.3C32H29N3O4S2.C31H41F3N3O2.C29H30F3N4.3C26H17N3O4S2.C18H23F3N3.2C17H13F3N3.5CNS.6Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-25(27-22-31(45-43-27)34(36,37)38)42-26(21-24)28-23-32(46-44-28)35(39,40)41;3*1-3-4-5-6-7-23-14-21(2)40-32(23)31-9-8-30(41-31)22-10-12-33-26(15-22)28-17-25(39-20-37)18-29(35-28)27-16-24(38-19-36)11-13-34-27;1-3-5-7-9-11-13-20-38-27-16-15-17-28(39-21-14-12-10-8-6-4-2)30(27)24-18-19-35-25(22-24)26-23-29(37-36-26)31(32,33)34;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;3*1-16-2-3-25(34-16)26-5-4-24(35-26)17-6-8-27-20(10-17)22-12-19(33-15-31)13-23(29-22)21-11-18(32-14-30)7-9-28-21;1-3-5-6-13(4-2)7-8-14-9-10-22-15(11-14)16-12-17(24-23-16)18(19,20)21;1-10-5-11(2)7-13(6-10)12-3-4-21-14(8-12)15-9-16(23-22-15)17(18,19)20;1-10-4-3-5-11(2)16(10)12-6-7-21-13(8-12)14-9-15(23-22-14)17(18,19)20;5*2-1-3;;;;;;/h15-17,20-23H,3-14,18-19H2,1-2H3;3*8-20H,3-7H2,1-2H3;15-19,22-23H,3-14,20-21H2,1-2H3;7-18H,1-6H3;3*2-15H,1H3;9-13H,3-8H2,1-2H3;2*3-9H,1-2H3;;;;;;;;;;;/q-2;;;;2*-1;;;;8*-1;6*+2
InChIKeyBEUVNJZLWLNSBE-UHFFFAOYSA-N
XLogP87.72
TPSA965.55 Ų
H-Bond Donors
H-Bond Acceptors77
Rotatable Bonds116
Heavy Atoms442
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006831.78
LogP ≤ 587.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1077

Analyze N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate with MolForge

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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;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate (CID 157326742) is N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)cc1.CCCCC(CC)CCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.Cc1cc(C)cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1cccc(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[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;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate?
The InChIKey is BEUVNJZLWLNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41F6N5O2.3C32H29N3O4S2.C31H41F3N3O2.C29H30F3N4.3C26H17N3O4S2.C18H23F3N3.2C17H13F3N3.5CNS.6Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-25(27-22-31(45-43-27)34(36,37)38)42-26(21-24)28-23-32(46-44-28)35(39,40)41;3*1-3-4-5-6-7-23-14-21(2)40-32(23)31-9-8-30(41-31)22-10-12-33-26(15-22)28-17-25(39-20-37)18-29(35-28)27-16-24(38-19-36)11-13-34-27;1-3-5-7-9-11-13-20-38-27-16-15-17-28(39-21-14-12-10-8-6-4-2)30(27)24-18-19-35-25(22-24)26-23-29(37-36-26)31(32,33)34;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;3*1-16-2-3-25(34-16)26-5-4-24(35-26)17-6-8-27-20(10-17)22-12-19(33-15-31)13-23(29-22)21-11-18(32-14-30)7-9-28-21;1-3-5-6-13(4-2)7-8-14-9-10-22-15(11-14)16-12-17(24-23-16)18(19,20)21;1-10-5-11(2)7-13(6-10)12-3-4-21-14(8-12)15-9-16(23-22-15)17(18,19)20;1-10-4-3-5-11(2)16(10)12-6-7-21-13(8-12)14-9-15(23-22-14)17(18,19)20;5*2-1-3;;;;;;/h15-17,20-23H,3-14,18-19H2,1-2H3;3*8-20H,3-7H2,1-2H3;15-19,22-23H,3-14,20-21H2,1-2H3;7-18H,1-6H3;3*2-15H,1H3;9-13H,3-8H2,1-2H3;2*3-9H,1-2H3;;;;;;;;;;;/q-2;;;;2*-1;;;;8*-1;6*+2.
What are the key properties of N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate?
N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate has a molecular weight of 6831.78 g/mol, XLogP of 87.72, 116 rotatable bonds, 0 hydrogen bond donors, and 77 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;4-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-ethylheptyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);tris([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);hexakis(ruthenium(2+));pentaisothiocyanate is sourced from PubChem (CID 157326742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).