[2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate

C355H389F18N49O27Ru6S19 — CID 159715338

IUPAC[2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
SMILESCCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c(N(CCCCCC)CCCCCC)c1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c(OC)c1.CCCCCCN(CCCCCC)c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCOc1cc(N(C)C)ccc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCOc1cc(N(CCCCCC)CCCCCC)ccc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCn1c2ccsc2c2sc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cc21.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[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]
InChIInChI=1S/C51H67N5O4S.C45H54N4O5S.C40H44N4O5S.C35H34N4O5S.C33H38N4O4S.C31H26N4O4S2.6C19H21F3N3S.6CNS.6Ru/c1-5-9-13-17-29-55(30-18-14-10-6-2)41-21-22-44(49(34-41)56(31-19-15-11-7-3)32-20-16-12-8-4)51-24-23-50(61-51)40-25-27-52-45(33-40)47-36-43(60-39-58)37-48(54-47)46-35-42(59-38-57)26-28-53-46;1-4-7-10-13-24-49(25-14-11-8-5-2)35-16-17-38(43(28-35)52-26-15-12-9-6-3)45-19-18-44(55-45)34-20-22-46-39(27-34)41-30-37(54-33-51)31-42(48-41)40-29-36(53-32-50)21-23-47-40;1-4-6-8-10-20-44(21-11-9-7-5-2)30-12-13-33(38(23-30)47-3)40-15-14-39(50-40)29-16-18-41-34(22-29)36-25-32(49-28-46)26-37(43-36)35-24-31(48-27-45)17-19-42-35;1-4-5-6-7-16-42-33-18-25(39(2)3)8-9-28(33)35-11-10-34(45-35)24-12-14-36-29(17-24)31-20-27(44-23-41)21-32(38-31)30-19-26(43-22-40)13-15-37-30;1-3-5-7-9-17-37(18-10-8-6-4-2)33-12-11-32(42-33)25-13-15-34-28(19-25)30-21-27(41-24-39)22-31(36-30)29-20-26(40-23-38)14-16-35-29;1-2-3-4-5-11-35-27-8-12-40-30(27)31-28(35)17-29(41-31)20-6-9-32-23(13-20)25-15-22(39-19-37)16-26(34-25)24-14-21(38-18-36)7-10-33-24;6*1-2-3-4-5-6-14-7-8-17(26-14)13-9-10-25-16(11-13)15(23)12-18(24)19(20,21)22;6*2-1-3;;;;;;/h21-28,33-39H,5-20,29-32H2,1-4H3;16-23,27-33H,4-15,24-26H2,1-3H3;12-19,22-28H,4-11,20-21H2,1-3H3;8-15,17-23H,4-7,16H2,1-3H3;11-16,19-24H,3-10,17-18H2,1-2H3;6-10,12-19H,2-5,11H2,1H3;6*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b;;;;;;6*15-12-,24-18-;;;;;;;;;;;;
InChIKeyMZIXWCXSWCOQQT-NLVKEWIISA-N
MW7331.99 g/mol
LogP103.66
Rot. Bonds168

About [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate

[2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate (PubChem CID 159715338) has the molecular formula C355H389F18N49O27Ru6S19 and a molecular weight of 7331.99 g/mol. Its IUPAC name is [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate.

Molecular Properties

Compound Name[2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
PubChem CID159715338
Molecular FormulaC355H389F18N49O27Ru6S19
Molecular Weight7331.99 g/mol
Exact Mass7330.92
IUPAC Name[2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
SMILESCCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c(N(CCCCCC)CCCCCC)c1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c(OC)c1.CCCCCCN(CCCCCC)c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCOc1cc(N(C)C)ccc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCOc1cc(N(CCCCCC)CCCCCC)ccc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCn1c2ccsc2c2sc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cc21.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[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]
InChIInChI=1S/C51H67N5O4S.C45H54N4O5S.C40H44N4O5S.C35H34N4O5S.C33H38N4O4S.C31H26N4O4S2.6C19H21F3N3S.6CNS.6Ru/c1-5-9-13-17-29-55(30-18-14-10-6-2)41-21-22-44(49(34-41)56(31-19-15-11-7-3)32-20-16-12-8-4)51-24-23-50(61-51)40-25-27-52-45(33-40)47-36-43(60-39-58)37-48(54-47)46-35-42(59-38-57)26-28-53-46;1-4-7-10-13-24-49(25-14-11-8-5-2)35-16-17-38(43(28-35)52-26-15-12-9-6-3)45-19-18-44(55-45)34-20-22-46-39(27-34)41-30-37(54-33-51)31-42(48-41)40-29-36(53-32-50)21-23-47-40;1-4-6-8-10-20-44(21-11-9-7-5-2)30-12-13-33(38(23-30)47-3)40-15-14-39(50-40)29-16-18-41-34(22-29)36-25-32(49-28-46)26-37(43-36)35-24-31(48-27-45)17-19-42-35;1-4-5-6-7-16-42-33-18-25(39(2)3)8-9-28(33)35-11-10-34(45-35)24-12-14-36-29(17-24)31-20-27(44-23-41)21-32(38-31)30-19-26(43-22-40)13-15-37-30;1-3-5-7-9-17-37(18-10-8-6-4-2)33-12-11-32(42-33)25-13-15-34-28(19-25)30-21-27(41-24-39)22-31(36-30)29-20-26(40-23-38)14-16-35-29;1-2-3-4-5-11-35-27-8-12-40-30(27)31-28(35)17-29(41-31)20-6-9-32-23(13-20)25-15-22(39-19-37)16-26(34-25)24-14-21(38-18-36)7-10-33-24;6*1-2-3-4-5-6-14-7-8-17(26-14)13-9-10-25-16(11-13)15(23)12-18(24)19(20,21)22;6*2-1-3;;;;;;/h21-28,33-39H,5-20,29-32H2,1-4H3;16-23,27-33H,4-15,24-26H2,1-3H3;12-19,22-28H,4-11,20-21H2,1-3H3;8-15,17-23H,4-7,16H2,1-3H3;11-16,19-24H,3-10,17-18H2,1-2H3;6-10,12-19H,2-5,11H2,1H3;6*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b;;;;;;6*15-12-,24-18-;;;;;;;;;;;;
InChIKeyMZIXWCXSWCOQQT-NLVKEWIISA-N
XLogP103.66
TPSA1096.72 Ų
H-Bond Donors6
H-Bond Acceptors83
Rotatable Bonds168
Heavy Atoms474
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007331.99
LogP ≤ 5103.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1083

Analyze [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687424
[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-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 140687550
[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687582
[2-[4-formyloxy-6-[4-[5-(2-methylthieno[3,2-b]thiophen-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-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 153435210
[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;ruthenium(2+);isothiocyanate
CID 153445682
CID 157148645
CID 157148645
CID 157192475
CID 157192475
5-(2-ethylhexoxy)-1-methanidyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium;4-(5-hexyl-2H-thiophen-1-yl)-1-methanidyl-2-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium;tris([2-[4-(hydroperoxymethyl)-1-methanidyl-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]pyridin-1-ium-2-yl]-4-pyridinyl] formate);propane;tris(ruthenium(4+));pentaisothiocyanate
CID 157293996
N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate
CID 157314164
[(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
bis(N,N-bis(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine);bis([2-[4-formyloxy-6-[4-[2-(3-hexyl-5-methylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);bis([2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
CID 157676812
[2-[4-(hydroperoxymethyl)-1-methanidyl-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]pyridin-1-ium-2-yl]-4-pyridinyl] formate;[2-[4-(hydroperoxymethyl)-1-methanidyl-6-[4-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]pyridin-1-ium-2-yl]-4-pyridinyl] formate;bis(ruthenium(4+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-1-methanidylpyridin-1-ium-2-yl]-3-iminobut-1-enyl]azanide);diisothiocyanate
CID 157966167

Frequently Asked Questions

What is the IUPAC name of [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The IUPAC name of [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate (CID 159715338) is [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate.
What is the SMILES notation for [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The canonical SMILES for [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate is CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c(N(CCCCCC)CCCCCC)c1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)c(OC)c1.CCCCCCN(CCCCCC)c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCOc1cc(N(C)C)ccc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCOc1cc(N(CCCCCC)CCCCCC)ccc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCn1c2ccsc2c2sc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cc21.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[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].
What is the InChIKey of [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The InChIKey is MZIXWCXSWCOQQT-NLVKEWIISA-N. The full InChI is InChI=1S/C51H67N5O4S.C45H54N4O5S.C40H44N4O5S.C35H34N4O5S.C33H38N4O4S.C31H26N4O4S2.6C19H21F3N3S.6CNS.6Ru/c1-5-9-13-17-29-55(30-18-14-10-6-2)41-21-22-44(49(34-41)56(31-19-15-11-7-3)32-20-16-12-8-4)51-24-23-50(61-51)40-25-27-52-45(33-40)47-36-43(60-39-58)37-48(54-47)46-35-42(59-38-57)26-28-53-46;1-4-7-10-13-24-49(25-14-11-8-5-2)35-16-17-38(43(28-35)52-26-15-12-9-6-3)45-19-18-44(55-45)34-20-22-46-39(27-34)41-30-37(54-33-51)31-42(48-41)40-29-36(53-32-50)21-23-47-40;1-4-6-8-10-20-44(21-11-9-7-5-2)30-12-13-33(38(23-30)47-3)40-15-14-39(50-40)29-16-18-41-34(22-29)36-25-32(49-28-46)26-37(43-36)35-24-31(48-27-45)17-19-42-35;1-4-5-6-7-16-42-33-18-25(39(2)3)8-9-28(33)35-11-10-34(45-35)24-12-14-36-29(17-24)31-20-27(44-23-41)21-32(38-31)30-19-26(43-22-40)13-15-37-30;1-3-5-7-9-17-37(18-10-8-6-4-2)33-12-11-32(42-33)25-13-15-34-28(19-25)30-21-27(41-24-39)22-31(36-30)29-20-26(40-23-38)14-16-35-29;1-2-3-4-5-11-35-27-8-12-40-30(27)31-28(35)17-29(41-31)20-6-9-32-23(13-20)25-15-22(39-19-37)16-26(34-25)24-14-21(38-18-36)7-10-33-24;6*1-2-3-4-5-6-14-7-8-17(26-14)13-9-10-25-16(11-13)15(23)12-18(24)19(20,21)22;6*2-1-3;;;;;;/h21-28,33-39H,5-20,29-32H2,1-4H3;16-23,27-33H,4-15,24-26H2,1-3H3;12-19,22-28H,4-11,20-21H2,1-3H3;8-15,17-23H,4-7,16H2,1-3H3;11-16,19-24H,3-10,17-18H2,1-2H3;6-10,12-19H,2-5,11H2,1H3;6*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b;;;;;;6*15-12-,24-18-;;;;;;;;;;;;.
What are the key properties of [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
[2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate has a molecular weight of 7331.99 g/mol, XLogP of 103.66, 168 rotatable bonds, 6 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[4-[5-[2,4-bis(dihexylamino)phenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dihexylamino)-2-methoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(dihexylamino)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-[4-(dimethylamino)-2-hexoxyphenyl]thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate is sourced from PubChem (CID 159715338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).