3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide

C233H169F18N33O2P4Pt10S4+4 — CID 161138401

IUPAC3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide
SMILESCC(C)(c1cccc(-c2[c-]c3ccccc3o2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]c3ccccc3s2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)[pH+]1)c1cccc(-n2[c-]cc(C#N)c2C#N)[pH+]1.CC(C)(c1cccc(-c2[c-]ccnc2)[pH+]1)c1cccc(-n2[c-]ccn2)[pH+]1.CC(C)(c1cccc(-c2[c-]cco2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]ccs2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]ncs2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]scn2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC1(C)C=C[C-]=C1c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1.CC1(C)C=[C-]C(c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)=C1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C26H17F2N3O.C26H17F2N3S.2C25H21F2N3.C24H14F2N4P2.C22H15F2N3O.C22H15F2N3S.2C21H14F2N4S.C21H17N3P2.10Pt/c2*1-26(2,22-11-5-8-18(29-22)17-13-14-24(27)31-25(17)28)23-12-6-9-19(30-23)21-15-16-7-3-4-10-20(16)32-21;1-24(2)15-7-8-17(24)19-10-6-12-21(29-19)25(3,4)20-11-5-9-18(28-20)16-13-14-22(26)30-23(16)27;1-24(2)14-13-16(15-24)18-7-5-9-20(28-18)25(3,4)21-10-6-8-19(29-21)17-11-12-22(26)30-23(17)27;1-24(2,19-6-3-5-18(31-19)16-9-10-21(25)29-23(16)26)20-7-4-8-22(32-20)30-12-11-15(13-27)17(30)14-28;2*1-22(2,19-10-4-7-16(26-19)17-8-5-13-28-17)18-9-3-6-15(25-18)14-11-12-20(23)27-21(14)24;1-21(2,18-8-4-6-15(26-18)16-11-28-12-24-16)17-7-3-5-14(25-17)13-9-10-19(22)27-20(13)23;1-21(2,18-8-4-6-15(26-18)16-11-24-12-28-16)17-7-3-5-14(25-17)13-9-10-19(22)27-20(13)23;1-21(2,19-10-4-11-20(26-19)24-14-6-13-23-24)18-9-3-8-17(25-18)16-7-5-12-22-15-16;;;;;;;;;;/h2*3-12,14H,1-2H3;5-7,9-12,14-15H,1-4H3;5-10,12,14-15H,1-4H3;3-8,10-11H,1-2H3;2*3-7,9-10,12-13H,1-2H3;2*3-8,10,12H,1-2H3;3-6,8-13,15H,1-2H3;;;;;;;;;;/q10*-2;10*+2/p+4
InChIKeyDRYMUEDUTHKJKK-UHFFFAOYSA-R
MW6008.05 g/mol
LogP56.01
Rot. Bonds40

About 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide

3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide (PubChem CID 161138401) has the molecular formula C233H169F18N33O2P4Pt10S4+4 and a molecular weight of 6008.05 g/mol. Its IUPAC name is 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide.

Molecular Properties

Compound Name3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide
PubChem CID161138401
Molecular FormulaC233H169F18N33O2P4Pt10S4+4
Molecular Weight6008.05 g/mol
Exact Mass6003.81
IUPAC Name3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide
SMILESCC(C)(c1cccc(-c2[c-]c3ccccc3o2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]c3ccccc3s2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)[pH+]1)c1cccc(-n2[c-]cc(C#N)c2C#N)[pH+]1.CC(C)(c1cccc(-c2[c-]ccnc2)[pH+]1)c1cccc(-n2[c-]ccn2)[pH+]1.CC(C)(c1cccc(-c2[c-]cco2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]ccs2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]ncs2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]scn2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC1(C)C=C[C-]=C1c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1.CC1(C)C=[C-]C(c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)=C1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C26H17F2N3O.C26H17F2N3S.2C25H21F2N3.C24H14F2N4P2.C22H15F2N3O.C22H15F2N3S.2C21H14F2N4S.C21H17N3P2.10Pt/c2*1-26(2,22-11-5-8-18(29-22)17-13-14-24(27)31-25(17)28)23-12-6-9-19(30-23)21-15-16-7-3-4-10-20(16)32-21;1-24(2)15-7-8-17(24)19-10-6-12-21(29-19)25(3,4)20-11-5-9-18(28-20)16-13-14-22(26)30-23(16)27;1-24(2)14-13-16(15-24)18-7-5-9-20(28-18)25(3,4)21-10-6-8-19(29-21)17-11-12-22(26)30-23(17)27;1-24(2,19-6-3-5-18(31-19)16-9-10-21(25)29-23(16)26)20-7-4-8-22(32-20)30-12-11-15(13-27)17(30)14-28;2*1-22(2,19-10-4-7-16(26-19)17-8-5-13-28-17)18-9-3-6-15(25-18)14-11-12-20(23)27-21(14)24;1-21(2,18-8-4-6-15(26-18)16-11-28-12-24-16)17-7-3-5-14(25-17)13-9-10-19(22)27-20(13)23;1-21(2,18-8-4-6-15(26-18)16-11-24-12-28-16)17-7-3-5-14(25-17)13-9-10-19(22)27-20(13)23;1-21(2,19-10-4-11-20(26-19)24-14-6-13-23-24)18-9-3-8-17(25-18)16-7-5-12-22-15-16;;;;;;;;;;/h2*3-12,14H,1-2H3;5-7,9-12,14-15H,1-4H3;5-10,12,14-15H,1-4H3;3-8,10-11H,1-2H3;2*3-7,9-10,12-13H,1-2H3;2*3-8,10,12H,1-2H3;3-6,8-13,15H,1-2H3;;;;;;;;;;/q10*-2;10*+2/p+4
InChIKeyDRYMUEDUTHKJKK-UHFFFAOYSA-R
XLogP56.01
TPSA457.53 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006008.05
LogP ≤ 556.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide with MolForge

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What is the IUPAC name of 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide?
The IUPAC name of 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide (CID 161138401) is 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide.
What is the SMILES notation for 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide?
The canonical SMILES for 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide is CC(C)(c1cccc(-c2[c-]c3ccccc3o2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]c3ccccc3s2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)[pH+]1)c1cccc(-n2[c-]cc(C#N)c2C#N)[pH+]1.CC(C)(c1cccc(-c2[c-]ccnc2)[pH+]1)c1cccc(-n2[c-]ccn2)[pH+]1.CC(C)(c1cccc(-c2[c-]cco2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]ccs2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]ncs2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]scn2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC1(C)C=C[C-]=C1c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1.CC1(C)C=[C-]C(c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)=C1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide?
The InChIKey is DRYMUEDUTHKJKK-UHFFFAOYSA-R. The full InChI is InChI=1S/C26H17F2N3O.C26H17F2N3S.2C25H21F2N3.C24H14F2N4P2.C22H15F2N3O.C22H15F2N3S.2C21H14F2N4S.C21H17N3P2.10Pt/c2*1-26(2,22-11-5-8-18(29-22)17-13-14-24(27)31-25(17)28)23-12-6-9-19(30-23)21-15-16-7-3-4-10-20(16)32-21;1-24(2)15-7-8-17(24)19-10-6-12-21(29-19)25(3,4)20-11-5-9-18(28-20)16-13-14-22(26)30-23(16)27;1-24(2)14-13-16(15-24)18-7-5-9-20(28-18)25(3,4)21-10-6-8-19(29-21)17-11-12-22(26)30-23(17)27;1-24(2,19-6-3-5-18(31-19)16-9-10-21(25)29-23(16)26)20-7-4-8-22(32-20)30-12-11-15(13-27)17(30)14-28;2*1-22(2,19-10-4-7-16(26-19)17-8-5-13-28-17)18-9-3-6-15(25-18)14-11-12-20(23)27-21(14)24;1-21(2,18-8-4-6-15(26-18)16-11-28-12-24-16)17-7-3-5-14(25-17)13-9-10-19(22)27-20(13)23;1-21(2,18-8-4-6-15(26-18)16-11-24-12-28-16)17-7-3-5-14(25-17)13-9-10-19(22)27-20(13)23;1-21(2,19-10-4-11-20(26-19)24-14-6-13-23-24)18-9-3-8-17(25-18)16-7-5-12-22-15-16;;;;;;;;;;/h2*3-12,14H,1-2H3;5-7,9-12,14-15H,1-4H3;5-10,12,14-15H,1-4H3;3-8,10-11H,1-2H3;2*3-7,9-10,12-13H,1-2H3;2*3-8,10,12H,1-2H3;3-6,8-13,15H,1-2H3;;;;;;;;;;/q10*-2;10*+2/p+4.
What are the key properties of 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide?
3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide has a molecular weight of 6008.05 g/mol, XLogP of 56.01, 40 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[6-(3H-1-benzofuran-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(3H-1-benzothiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-furan-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;4-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-1,3-thiazol-5-ide;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-1,3-thiazol-4-ide;2,6-difluoro-3-[6-[2-[6-(3H-thiophen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(5,5-dimethylcyclopenta-1,3-dien-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;decakis(platinum(2+));3-[6-[2-[6-(3H-pyrazol-3-id-2-yl)phosphinin-1-ium-2-yl]propan-2-yl]phosphinin-1-ium-2-yl]-4H-pyridin-4-ide is sourced from PubChem (CID 161138401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).