[(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate

C155H127F6N21O19Ru3S13 — CID 157320825

IUPAC[(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate
SMILESCC#Cc1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c2c1OCCO2.CC(C)=Cc1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c2c1OCCO2.COc1ccc(-c2sc(-c3ccc(-c4ccnc(-c5cc(OC=O)cc(-c6cc(OC=O)ccn6)n5)c4)s3)c3c2OCCO3)cc1.[H]/N=C(/C=C(\[NH-])c1cc(-c2cc(CCC)sc2CCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2cscc2CC(C)C)ccn1)C(F)(F)F.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2cc3sc(CCCCCC)cc3s2)ccn1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C34H23N3O7S2.C31H23N3O6S2.C30H19N3O6S2.C21H24N3S2.C19H21F3N3S.C17H17F3N3S.3CNS.3Ru/c1-40-22-4-2-20(3-5-22)33-31-32(42-13-12-41-31)34(46-33)30-7-6-29(45-30)21-8-10-35-25(14-21)27-16-24(44-19-39)17-28(37-27)26-15-23(43-18-38)9-11-36-26;1-18(2)11-28-29-30(38-10-9-37-29)31(42-28)27-4-3-26(41-27)19-5-7-32-22(12-19)24-14-21(40-17-36)15-25(34-24)23-13-20(39-16-35)6-8-33-23;1-2-3-26-28-29(37-11-10-36-28)30(41-26)27-5-4-25(40-27)18-6-8-31-21(12-18)23-14-20(39-17-35)15-24(33-23)22-13-19(38-16-34)7-9-32-22;1-3-4-5-6-7-16-12-20-21(25-16)13-19(26-20)15-8-9-24-18(11-15)17(23)10-14(2)22;1-3-5-13-10-14(17(26-13)6-4-2)12-7-8-25-16(9-12)15(23)11-18(24)19(20,21)22;1-10(2)5-12-8-24-9-13(12)11-3-4-23-15(6-11)14(21)7-16(22)17(18,19)20;3*2-1-3;;;/h2-11,14-19H,12-13H2,1H3;3-8,11-17H,9-10H2,1-2H3;4-9,12-17H,10-11H2,1H3;8-13,22-23H,3-7H2,1-2H3;7-11,23-24H,3-6H2,1-2H3;3-4,6-10,21-22H,5H2,1-2H3;;;;;;/q;;;6*-1;3*+2/b;;;17-10-,22-14+;15-11-,24-18-;14-7-,22-16-;;;;;;
InChIKeyBEDIXTFPJJNUNS-SCBDMXBZSA-N
MW3421.92 g/mol
LogP42.21
Rot. Bonds47

About [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate

[(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate (PubChem CID 157320825) has the molecular formula C155H127F6N21O19Ru3S13 and a molecular weight of 3421.92 g/mol. Its IUPAC name is [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate.

Molecular Properties

Compound Name[(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate
PubChem CID157320825
Molecular FormulaC155H127F6N21O19Ru3S13
Molecular Weight3421.92 g/mol
Exact Mass3421.30
IUPAC Name[(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate
SMILESCC#Cc1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c2c1OCCO2.CC(C)=Cc1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c2c1OCCO2.COc1ccc(-c2sc(-c3ccc(-c4ccnc(-c5cc(OC=O)cc(-c6cc(OC=O)ccn6)n5)c4)s3)c3c2OCCO3)cc1.[H]/N=C(/C=C(\[NH-])c1cc(-c2cc(CCC)sc2CCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2cscc2CC(C)C)ccn1)C(F)(F)F.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2cc3sc(CCCCCC)cc3s2)ccn1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C34H23N3O7S2.C31H23N3O6S2.C30H19N3O6S2.C21H24N3S2.C19H21F3N3S.C17H17F3N3S.3CNS.3Ru/c1-40-22-4-2-20(3-5-22)33-31-32(42-13-12-41-31)34(46-33)30-7-6-29(45-30)21-8-10-35-25(14-21)27-16-24(44-19-39)17-28(37-27)26-15-23(43-18-38)9-11-36-26;1-18(2)11-28-29-30(38-10-9-37-29)31(42-28)27-4-3-26(41-27)19-5-7-32-22(12-19)24-14-21(40-17-36)15-25(34-24)23-13-20(39-16-35)6-8-33-23;1-2-3-26-28-29(37-11-10-36-28)30(41-26)27-5-4-25(40-27)18-6-8-31-21(12-18)23-14-20(39-17-35)15-24(33-23)22-13-19(38-16-34)7-9-32-22;1-3-4-5-6-7-16-12-20-21(25-16)13-19(26-20)15-8-9-24-18(11-15)17(23)10-14(2)22;1-3-5-13-10-14(17(26-13)6-4-2)12-7-8-25-16(9-12)15(23)11-18(24)19(20,21)22;1-10(2)5-12-8-24-9-13(12)11-3-4-23-15(6-11)14(21)7-16(22)17(18,19)20;3*2-1-3;;;/h2-11,14-19H,12-13H2,1H3;3-8,11-17H,9-10H2,1-2H3;4-9,12-17H,10-11H2,1H3;8-13,22-23H,3-7H2,1-2H3;7-11,23-24H,3-6H2,1-2H3;3-4,6-10,21-22H,5H2,1-2H3;;;;;;/q;;;6*-1;3*+2/b;;;17-10-,22-14+;15-11-,24-18-;14-7-,22-16-;;;;;;
InChIKeyBEDIXTFPJJNUNS-SCBDMXBZSA-N
XLogP42.21
TPSA586.94 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds47
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003421.92
LogP ≤ 542.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
The IUPAC name of [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate (CID 157320825) is [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate.
What is the SMILES notation for [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
The canonical SMILES for [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate is CC#Cc1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c2c1OCCO2.CC(C)=Cc1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c2c1OCCO2.COc1ccc(-c2sc(-c3ccc(-c4ccnc(-c5cc(OC=O)cc(-c6cc(OC=O)ccn6)n5)c4)s3)c3c2OCCO3)cc1.[H]/N=C(/C=C(\[NH-])c1cc(-c2cc(CCC)sc2CCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2cscc2CC(C)C)ccn1)C(F)(F)F.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2cc3sc(CCCCCC)cc3s2)ccn1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
The InChIKey is BEDIXTFPJJNUNS-SCBDMXBZSA-N. The full InChI is InChI=1S/C34H23N3O7S2.C31H23N3O6S2.C30H19N3O6S2.C21H24N3S2.C19H21F3N3S.C17H17F3N3S.3CNS.3Ru/c1-40-22-4-2-20(3-5-22)33-31-32(42-13-12-41-31)34(46-33)30-7-6-29(45-30)21-8-10-35-25(14-21)27-16-24(44-19-39)17-28(37-27)26-15-23(43-18-38)9-11-36-26;1-18(2)11-28-29-30(38-10-9-37-29)31(42-28)27-4-3-26(41-27)19-5-7-32-22(12-19)24-14-21(40-17-36)15-25(34-24)23-13-20(39-16-35)6-8-33-23;1-2-3-26-28-29(37-11-10-36-28)30(41-26)27-5-4-25(40-27)18-6-8-31-21(12-18)23-14-20(39-17-35)15-24(33-23)22-13-19(38-16-34)7-9-32-22;1-3-4-5-6-7-16-12-20-21(25-16)13-19(26-20)15-8-9-24-18(11-15)17(23)10-14(2)22;1-3-5-13-10-14(17(26-13)6-4-2)12-7-8-25-16(9-12)15(23)11-18(24)19(20,21)22;1-10(2)5-12-8-24-9-13(12)11-3-4-23-15(6-11)14(21)7-16(22)17(18,19)20;3*2-1-3;;;/h2-11,14-19H,12-13H2,1H3;3-8,11-17H,9-10H2,1-2H3;4-9,12-17H,10-11H2,1H3;8-13,22-23H,3-7H2,1-2H3;7-11,23-24H,3-6H2,1-2H3;3-4,6-10,21-22H,5H2,1-2H3;;;;;;/q;;;6*-1;3*+2/b;;;17-10-,22-14+;15-11-,24-18-;14-7-,22-16-;;;;;;.
What are the key properties of [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
[(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate has a molecular weight of 3421.92 g/mol, XLogP of 42.21, 47 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[4-(2,5-dipropylthiophen-3-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[5-[7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-[7-(2-methylprop-1-enyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[(Z)-1-[4-(2-hexylthieno[3,2-b]thiophen-5-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate is sourced from PubChem (CID 157320825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).