[2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate

C260H227F33N34O30Ru5S6 — CID 160893071

IUPAC[2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate
SMILESCC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CC(F)(F)F)OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.[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]
InChIInChI=1S/C42H29N3O6.C34H23N3O6.C30H20F9N3O6.C30H29N3O6.C26H17F6N3O6.C22H19F6N2S.3C18H23F3N3.C17H21F3N3.5CNS.5Ru/c46-27-49-40(33-10-4-1-5-11-33)24-30-16-18-43-36(20-30)38-22-32(26-42(51-29-48)35-14-8-3-9-15-35)23-39(45-38)37-21-31(17-19-44-37)25-41(50-28-47)34-12-6-2-7-13-34;38-21-41-28-19-31(29-15-24(11-13-35-29)17-33(42-22-39)26-7-3-1-4-8-26)37-32(20-28)30-16-25(12-14-36-30)18-34(43-23-40)27-9-5-2-6-10-27;31-28(32,33)12-21(46-15-43)5-18-1-3-40-24(8-18)26-10-20(7-23(48-17-45)14-30(37,38)39)11-27(42-26)25-9-19(2-4-41-25)6-22(47-16-44)13-29(34,35)36;1-4-24(37-18-34)11-21-7-9-31-27(14-21)29-16-23(13-26(6-3)39-20-36)17-30(33-29)28-15-22(8-10-32-28)12-25(5-2)38-19-35;27-25(28,29)11-19(40-14-37)5-16-1-3-33-21(7-16)23-9-18(39-13-36)10-24(35-23)22-8-17(2-4-34-22)6-20(41-15-38)12-26(30,31)32;1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;3*1-2-3-4-5-6-7-8-9-14-10-11-22-15(12-14)16-13-17(24-23-16)18(19,20)21;1-2-3-4-5-6-7-8-13-9-10-21-14(11-13)15-12-16(23-22-15)17(18,19)20;5*2-1-3;;;;;/h1-29H;1-23H;1-11,15-17H,12-14H2;7-20H,4-6H2,1-3H3;1-10,13-15H,11-12H2;7,9-13H,2-6H2,1H3;3*10-13H,2-9H2,1H3;9-12H,2-8H2,1H3;;;;;;;;;;/q;;;;;10*-1;5*+2/b40-24+,41-25+,42-26+;33-17+,34-18+;21-5+,22-6+,23-7+;24-11+,25-12+,26-13+;19-5+,20-6+;;;;;;;;;;;;;;;
InChIKeyRZQJUVRKSQAJKO-JBVMYIRASA-N
MW5632.57 g/mol
LogP65.93
Rot. Bonds108

About [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate

[2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate (PubChem CID 160893071) has the molecular formula C260H227F33N34O30Ru5S6 and a molecular weight of 5632.57 g/mol. Its IUPAC name is [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate.

Molecular Properties

Compound Name[2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate
PubChem CID160893071
Molecular FormulaC260H227F33N34O30Ru5S6
Molecular Weight5632.57 g/mol
Exact Mass5633.03
IUPAC Name[2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate
SMILESCC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CC(F)(F)F)OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.[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]
InChIInChI=1S/C42H29N3O6.C34H23N3O6.C30H20F9N3O6.C30H29N3O6.C26H17F6N3O6.C22H19F6N2S.3C18H23F3N3.C17H21F3N3.5CNS.5Ru/c46-27-49-40(33-10-4-1-5-11-33)24-30-16-18-43-36(20-30)38-22-32(26-42(51-29-48)35-14-8-3-9-15-35)23-39(45-38)37-21-31(17-19-44-37)25-41(50-28-47)34-12-6-2-7-13-34;38-21-41-28-19-31(29-15-24(11-13-35-29)17-33(42-22-39)26-7-3-1-4-8-26)37-32(20-28)30-16-25(12-14-36-30)18-34(43-23-40)27-9-5-2-6-10-27;31-28(32,33)12-21(46-15-43)5-18-1-3-40-24(8-18)26-10-20(7-23(48-17-45)14-30(37,38)39)11-27(42-26)25-9-19(2-4-41-25)6-22(47-16-44)13-29(34,35)36;1-4-24(37-18-34)11-21-7-9-31-27(14-21)29-16-23(13-26(6-3)39-20-36)17-30(33-29)28-15-22(8-10-32-28)12-25(5-2)38-19-35;27-25(28,29)11-19(40-14-37)5-16-1-3-33-21(7-16)23-9-18(39-13-36)10-24(35-23)22-8-17(2-4-34-22)6-20(41-15-38)12-26(30,31)32;1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;3*1-2-3-4-5-6-7-8-9-14-10-11-22-15(12-14)16-13-17(24-23-16)18(19,20)21;1-2-3-4-5-6-7-8-13-9-10-21-14(11-13)15-12-16(23-22-15)17(18,19)20;5*2-1-3;;;;;/h1-29H;1-23H;1-11,15-17H,12-14H2;7-20H,4-6H2,1-3H3;1-10,13-15H,11-12H2;7,9-13H,2-6H2,1H3;3*10-13H,2-9H2,1H3;9-12H,2-8H2,1H3;;;;;;;;;;/q;;;;;10*-1;5*+2/b40-24+,41-25+,42-26+;33-17+,34-18+;21-5+,22-6+,23-7+;24-11+,25-12+,26-13+;19-5+,20-6+;;;;;;;;;;;;;;;
InChIKeyRZQJUVRKSQAJKO-JBVMYIRASA-N
XLogP65.93
TPSA884.65 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds108
Heavy Atoms368
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005632.57
LogP ≤ 565.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

Analyze [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140687222
[2-[6-[4-[(E)-2-dibenzothiophen-2-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 140780299
[2-[4-Formyloxy-6-[4-[2-(5-hept-1-ynylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780301
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylsulfanylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780303
2-[3-(Difluoromethyl)pyrazol-1-id-5-yl]-4-(5-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;[2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140780305
4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780309
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-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 140780311
[2-[6-[4-[2-(4-Tert-butylthiophen-2-yl)ethynyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-decylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780313
[2-[4-Formyloxy-6-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780316
[2-[4-Formyloxy-6-[4-(2-thieno[3,2-b]thiophen-5-ylethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780323
[2-[4-Formyloxy-6-[4-(2-thiophen-2-ylethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780324
4-(3-Decylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(4-propylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780328

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate?
The IUPAC name of [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate (CID 160893071) is [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate.
What is the SMILES notation for [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate?
The canonical SMILES for [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate is CC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCCCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CC(F)(F)F)OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.[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].
What is the InChIKey of [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate?
The InChIKey is RZQJUVRKSQAJKO-JBVMYIRASA-N. The full InChI is InChI=1S/C42H29N3O6.C34H23N3O6.C30H20F9N3O6.C30H29N3O6.C26H17F6N3O6.C22H19F6N2S.3C18H23F3N3.C17H21F3N3.5CNS.5Ru/c46-27-49-40(33-10-4-1-5-11-33)24-30-16-18-43-36(20-30)38-22-32(26-42(51-29-48)35-14-8-3-9-15-35)23-39(45-38)37-21-31(17-19-44-37)25-41(50-28-47)34-12-6-2-7-13-34;38-21-41-28-19-31(29-15-24(11-13-35-29)17-33(42-22-39)26-7-3-1-4-8-26)37-32(20-28)30-16-25(12-14-36-30)18-34(43-23-40)27-9-5-2-6-10-27;31-28(32,33)12-21(46-15-43)5-18-1-3-40-24(8-18)26-10-20(7-23(48-17-45)14-30(37,38)39)11-27(42-26)25-9-19(2-4-41-25)6-22(47-16-44)13-29(34,35)36;1-4-24(37-18-34)11-21-7-9-31-27(14-21)29-16-23(13-26(6-3)39-20-36)17-30(33-29)28-15-22(8-10-32-28)12-25(5-2)38-19-35;27-25(28,29)11-19(40-14-37)5-16-1-3-33-21(7-16)23-9-18(39-13-36)10-24(35-23)22-8-17(2-4-34-22)6-20(41-15-38)12-26(30,31)32;1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;3*1-2-3-4-5-6-7-8-9-14-10-11-22-15(12-14)16-13-17(24-23-16)18(19,20)21;1-2-3-4-5-6-7-8-13-9-10-21-14(11-13)15-12-16(23-22-15)17(18,19)20;5*2-1-3;;;;;/h1-29H;1-23H;1-11,15-17H,12-14H2;7-20H,4-6H2,1-3H3;1-10,13-15H,11-12H2;7,9-13H,2-6H2,1H3;3*10-13H,2-9H2,1H3;9-12H,2-8H2,1H3;;;;;;;;;;/q;;;;;10*-1;5*+2/b40-24+,41-25+,42-26+;33-17+,34-18+;21-5+,22-6+,23-7+;24-11+,25-12+,26-13+;19-5+,20-6+;;;;;;;;;;;;;;;.
What are the key properties of [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate?
[2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate has a molecular weight of 5632.57 g/mol, XLogP of 65.93, 108 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;pentaisothiocyanate is sourced from PubChem (CID 160893071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).