[2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))

C192H164F15N25O22Ru4S5 — CID 160504012

About [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))

[2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)) (PubChem CID 160504012) has the molecular formula C192H164F15N25O22Ru4S5 and a molecular weight of 4023.16 g/mol. Its IUPAC name is [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)).

Molecular Properties

• Compound Name: [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))
• PubChem CID: 160504012
• Molecular Formula: C192H164F15N25O22Ru4S5
• Molecular Weight: 4023.16 g/mol
• Exact Mass: 4023.70
• IUPAC Name: [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))
• SMILES: Cc1cc(-c2ccc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)nc2)cc(C(F)(F)F)c1.O=CO/C=C/c1ccnc(-c2cc(-c3ccc(OC=O)cc3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3nc4ccccc4s3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3ncccn3)n2)c1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[Ru+].[Ru+].[Ru+].[Ru+]
• InChI: InChI=1S/C28H19N3O6.4C26H27F3N3OS.C25H16F3N3O4.C19H11N3O4S.C16H10N4O4.4Ru/c32-17-35-11-7-20-5-9-29-25(13-20)27-15-23(22-1-3-24(4-2-22)37-19-34)16-28(31-27)26-14-21(6-10-30-26)8-12-36-18-33;4*1-3-4-5-6-7-17-10-11-34-25(17)18-13-22(32-23(14-18)21(31)12-16(2)30)20-15-19(26(27,28)29)8-9-24(20)33;1-15-6-17(8-18(7-15)25(26,27)28)16-2-3-21(30-12-16)23-10-20(35-14-33)11-24(31-23)22-9-19(34-13-32)4-5-29-22;23-10-25-12-5-6-20-15(7-12)16-8-13(26-11-24)9-17(21-16)19-22-14-3-1-2-4-18(14)27-19;21-9-23-11-2-5-17-13(6-11)14-7-12(24-10-22)8-15(20-14)16-18-3-1-4-19-16;;;;/h1-19H;4*8-15H,3-7H2,1-2H3,(H3-,30,31,32,33);2-14H,1H3;1-11H;1-10H;;;;/q;4*-1;;;;4*+1/b11-7+,12-8+
• InChIKey: ZEOKOJFFRHACTL-KHDRDLFCSA-N
• XLogP: 50.15
• TPSA: 727.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 66
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4023.16
LogP ≤ 5	50.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))?

The IUPAC name of [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)) (CID 160504012) is [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)).

What is the SMILES notation for [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))?

The canonical SMILES for [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)) is Cc1cc(-c2ccc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)nc2)cc(C(F)(F)F)c1.O=CO/C=C/c1ccnc(-c2cc(-c3ccc(OC=O)cc3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3nc4ccccc4s3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3ncccn3)n2)c1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1.[Ru+].[Ru+].[Ru+].[Ru+].

What is the InChIKey of [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))?

The InChIKey is ZEOKOJFFRHACTL-KHDRDLFCSA-N. The full InChI is InChI=1S/C28H19N3O6.4C26H27F3N3OS.C25H16F3N3O4.C19H11N3O4S.C16H10N4O4.4Ru/c32-17-35-11-7-20-5-9-29-25(13-20)27-15-23(22-1-3-24(4-2-22)37-19-34)16-28(31-27)26-14-21(6-10-30-26)8-12-36-18-33;4*1-3-4-5-6-7-17-10-11-34-25(17)18-13-22(32-23(14-18)21(31)12-16(2)30)20-15-19(26(27,28)29)8-9-24(20)33;1-15-6-17(8-18(7-15)25(26,27)28)16-2-3-21(30-12-16)23-10-20(35-14-33)11-24(31-23)22-9-19(34-13-32)4-5-29-22;23-10-25-12-5-6-20-15(7-12)16-8-13(26-11-24)9-17(21-16)19-22-14-3-1-2-4-18(14)27-19;21-9-23-11-2-5-17-13(6-11)14-7-12(24-10-22)8-15(20-14)16-18-3-1-4-19-16;;;;/h1-19H;4*8-15H,3-7H2,1-2H3,(H3-,30,31,32,33);2-14H,1H3;1-11H;1-10H;;;;/q;4*-1;;;;4*+1/b11-7+,12-8+;;;;;;;;;;;.

What are the key properties of [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))?

[2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)) has a molecular weight of 4023.16 g/mol, XLogP of 50.15, 66 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+)) is sourced from PubChem (CID 160504012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).