bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate

C370H291F24N57O52Ru8S28 — CID 159578717

IUPACbis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate
SMILESO=COc1cc(-c2cc(-c3ccc(OC=O)s3)ccn2)nc(-c2cc(-c3ccc(OC=O)s3)ccn2)c1.O=COc1cc(-c2cc(-c3ccc(OC=O)s3)ccn2)nc(-c2cc(-c3ccc(OC=O)s3)ccn2)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC=O)s4)cc(-c4cc(-c5ccc(OC=O)s5)ccn4)n3)c2)s1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
InChIInChI=1S/C31H36F3N4.C30H17N3O6S3.2C26H15N3O6S2.2C22H11N3O8.3C22H11N3O6S2.3C21H23F3N3S.4C19H21F3N3S.8CNS.8Ru/c1-3-5-7-9-23-11-15-25(16-12-23)38(26-17-13-24(14-18-26)10-8-6-4-2)27-19-20-37-29(21-27)28(35)22-30(36)31(32,33)34;34-15-37-28-4-1-25(40-28)18-7-9-31-21(11-18)23-13-20(27-3-6-30(42-27)39-17-36)14-24(33-23)22-12-19(8-10-32-22)26-2-5-29(41-26)38-16-35;2*30-13-33-18-11-21(19-9-16(5-7-27-19)23-1-3-25(36-23)34-14-31)29-22(12-18)20-10-17(6-8-28-20)24-2-4-26(37-24)35-15-32;5*26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;3*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;4*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;8*2-1-3;;;;;;;;/h11-22,35-36H,3-10H2,1-2H3;1-17H;2*1-15H;5*1-11H;3*7-14,25-26H,2-6H2,1H3;4*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;;;;15*-1;8*+2/b28-22-,36-30-;;;;;;;;;3*8-7+,18-14-,26-20-;4*15-12-,24-17-;;;;;;;;;;;;;;;;
InChIKeyMISSYMRQLPFSFZ-UUUXOZBQSA-N
MW8530.13 g/mol
LogP101.97
Rot. Bonds143

About bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate

bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate (PubChem CID 159578717) has the molecular formula C370H291F24N57O52Ru8S28 and a molecular weight of 8530.13 g/mol. Its IUPAC name is bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate.

Molecular Properties

Compound Namebis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate
PubChem CID159578717
Molecular FormulaC370H291F24N57O52Ru8S28
Molecular Weight8530.13 g/mol
Exact Mass8529.60
IUPAC Namebis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate
SMILESO=COc1cc(-c2cc(-c3ccc(OC=O)s3)ccn2)nc(-c2cc(-c3ccc(OC=O)s3)ccn2)c1.O=COc1cc(-c2cc(-c3ccc(OC=O)s3)ccn2)nc(-c2cc(-c3ccc(OC=O)s3)ccn2)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC=O)s4)cc(-c4cc(-c5ccc(OC=O)s5)ccn4)n3)c2)s1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
InChIInChI=1S/C31H36F3N4.C30H17N3O6S3.2C26H15N3O6S2.2C22H11N3O8.3C22H11N3O6S2.3C21H23F3N3S.4C19H21F3N3S.8CNS.8Ru/c1-3-5-7-9-23-11-15-25(16-12-23)38(26-17-13-24(14-18-26)10-8-6-4-2)27-19-20-37-29(21-27)28(35)22-30(36)31(32,33)34;34-15-37-28-4-1-25(40-28)18-7-9-31-21(11-18)23-13-20(27-3-6-30(42-27)39-17-36)14-24(33-23)22-12-19(8-10-32-22)26-2-5-29(41-26)38-16-35;2*30-13-33-18-11-21(19-9-16(5-7-27-19)23-1-3-25(36-23)34-14-31)29-22(12-18)20-10-17(6-8-28-20)24-2-4-26(37-24)35-15-32;5*26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;3*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;4*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;8*2-1-3;;;;;;;;/h11-22,35-36H,3-10H2,1-2H3;1-17H;2*1-15H;5*1-11H;3*7-14,25-26H,2-6H2,1H3;4*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;;;;15*-1;8*+2/b28-22-,36-30-;;;;;;;;;3*8-7+,18-14-,26-20-;4*15-12-,24-17-;;;;;;;;;;;;;;;;
InChIKeyMISSYMRQLPFSFZ-UUUXOZBQSA-N
XLogP101.97
TPSA1659.08 Ų
H-Bond Donors8
H-Bond Acceptors121
Rotatable Bonds143
Heavy Atoms539
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008530.13
LogP ≤ 5101.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 10121

Analyze bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687374
[2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687583
(E)-3-[2-[4-[(E)-2-carboxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)furan-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-2-methylprop-2-enoic acid;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 145054911
[2,6-Bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445580
[2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445739
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
bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);octakis(ruthenium(2+));octaisothiocyanate
CID 161352518
[2-[4-formyloxy-6-[4-[4-hexyl-5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[5-(N-phenylanilino)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[5-(N-phenylanilino)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;tetrakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;tetraisothiocyanate
CID 161974708
Diethyl 1-phenyl-5-phenylmethoxythieno[2,3-b]indolizine-2,4-dicarboxylate;ethyl 3-benzoyl-2-(2-ethoxy-2-oxoethyl)sulfanyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 4-oxamoyl-1-phenyl-5-phenylmethoxythieno[2,3-b]indolizine-2-carboxylate;methyl 1-phenyl-5-phenylmethoxythieno[2,3-b]indolizine-2-carboxylate;1-phenyl-5-phenylmethoxythieno[2,3-b]indolizine-2-carboxylic acid
CID 160192484

Frequently Asked Questions

What is the IUPAC name of bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
The IUPAC name of bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate (CID 159578717) is bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate.
What is the SMILES notation for bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
The canonical SMILES for bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate is O=COc1cc(-c2cc(-c3ccc(OC=O)s3)ccn2)nc(-c2cc(-c3ccc(OC=O)s3)ccn2)c1.O=COc1cc(-c2cc(-c3ccc(OC=O)s3)ccn2)nc(-c2cc(-c3ccc(OC=O)s3)ccn2)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC=O)s4)cc(-c4cc(-c5ccc(OC=O)s5)ccn4)n3)c2)s1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2].
What is the InChIKey of bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
The InChIKey is MISSYMRQLPFSFZ-UUUXOZBQSA-N. The full InChI is InChI=1S/C31H36F3N4.C30H17N3O6S3.2C26H15N3O6S2.2C22H11N3O8.3C22H11N3O6S2.3C21H23F3N3S.4C19H21F3N3S.8CNS.8Ru/c1-3-5-7-9-23-11-15-25(16-12-23)38(26-17-13-24(14-18-26)10-8-6-4-2)27-19-20-37-29(21-27)28(35)22-30(36)31(32,33)34;34-15-37-28-4-1-25(40-28)18-7-9-31-21(11-18)23-13-20(27-3-6-30(42-27)39-17-36)14-24(33-23)22-12-19(8-10-32-22)26-2-5-29(41-26)38-16-35;2*30-13-33-18-11-21(19-9-16(5-7-27-19)23-1-3-25(36-23)34-14-31)29-22(12-18)20-10-17(6-8-28-20)24-2-4-26(37-24)35-15-32;5*26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;3*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;4*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;8*2-1-3;;;;;;;;/h11-22,35-36H,3-10H2,1-2H3;1-17H;2*1-15H;5*1-11H;3*7-14,25-26H,2-6H2,1H3;4*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;;;;15*-1;8*+2/b28-22-,36-30-;;;;;;;;;3*8-7+,18-14-,26-20-;4*15-12-,24-17-;;;;;;;;;;;;;;;;.
What are the key properties of bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate has a molecular weight of 8530.13 g/mol, XLogP of 101.97, 143 rotatable bonds, 8 hydrogen bond donors, and 121 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);tris([2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate);bis([5-[2-[4-formyloxy-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate is sourced from PubChem (CID 159578717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).