tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride

C233H123Cl4F39Ir3N19O24Re6S6-11 — CID 157157562

About tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride

tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride (PubChem CID 157157562) has the molecular formula C233H123Cl4F39Ir3N19O24Re6S6-11 and a molecular weight of 6341.69 g/mol. Its IUPAC name is tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride.

Molecular Properties

• Compound Name: tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride
• PubChem CID: 157157562
• Molecular Formula: C233H123Cl4F39Ir3N19O24Re6S6-11
• Molecular Weight: 6341.69 g/mol
• Exact Mass: 6343.17
• IUPAC Name: tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride
• SMILES: Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cl.Cl.Cl.Cl.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]scc2)nc1.FC(F)(F)c1ccc(-c2[c-]scc2)nc1.FC(F)(F)c1ccnc(-c2[c-]scc2)c1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccnc3c2ccc2c(-c4ccc(F)cc4)ccnc23)cc1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1.Fc1ccc(-c2cnc3c(ccc4cc(-c5ccc(F)cc5)cnc43)c2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Re].[Re].[Re].[Re].[Re].[Re]
• InChI: InChI=1S/2C24H14F2N2.C18H11FN2.3C14H7F3NS.C12H6F6N2.C12H7F3N.3C12H8F2N.C11H7FN.3C10H5F3NS.24CO.4ClH.3Ir.6Re/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16;25-21-7-3-15(4-8-21)19-11-17-1-2-18-12-20(16-5-9-22(26)10-6-16)14-28-24(18)23(17)27-13-19;19-14-6-3-12(4-7-14)15-9-11-21-18-16(15)8-5-13-2-1-10-20-17(13)18;3*15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;11-10(12,13)8-1-3-14-9(5-8)7-2-4-15-6-7;2*11-10(12,13)8-1-2-9(14-5-8)7-3-4-15-6-7;24*1-2;;;;;;;;;;;;;/h2*1-14H;1-11H;3*1-6,8H;1-6H;1-4,6-8H;3*2,4-7H,1H3;1-4,6-8H;3*1-5H;;;;;;;;;;;;;;;;;;;;;;;;;4*1H;;;;;;;;;/q;;;3*-1;;8*-1
• InChIKey: WETIYOVXVQSEPD-UHFFFAOYSA-N
• XLogP: 63.22
• TPSA: 722.51 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6341.69
LogP ≤ 5	63.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride?

The IUPAC name of tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride (CID 157157562) is tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride.

What is the SMILES notation for tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride?

The canonical SMILES for tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride is Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cl.Cl.Cl.Cl.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]scc2)nc1.FC(F)(F)c1ccc(-c2[c-]scc2)nc1.FC(F)(F)c1ccnc(-c2[c-]scc2)c1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccnc3c2ccc2c(-c4ccc(F)cc4)ccnc23)cc1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1.Fc1ccc(-c2cnc3c(ccc4cc(-c5ccc(F)cc5)cnc43)c2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Re].[Re].[Re].[Re].[Re].[Re].

What is the InChIKey of tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride?

The InChIKey is WETIYOVXVQSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H14F2N2.C18H11FN2.3C14H7F3NS.C12H6F6N2.C12H7F3N.3C12H8F2N.C11H7FN.3C10H5F3NS.24CO.4ClH.3Ir.6Re/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16;25-21-7-3-15(4-8-21)19-11-17-1-2-18-12-20(16-5-9-22(26)10-6-16)14-28-24(18)23(17)27-13-19;19-14-6-3-12(4-7-14)15-9-11-21-18-16(15)8-5-13-2-1-10-20-17(13)18;3*15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;11-10(12,13)8-1-3-14-9(5-8)7-2-4-15-6-7;2*11-10(12,13)8-1-2-9(14-5-8)7-3-4-15-6-7;24*1-2;;;;;;;;;;;;;/h2*1-14H;1-11H;3*1-6,8H;1-6H;1-4,6-8H;3*2,4-7H,1H3;1-4,6-8H;3*1-5H;;;;;;;;;;;;;;;;;;;;;;;;;4*1H;;;;;;;;;/q;;;3*-1;;8*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride?

tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride has a molecular weight of 6341.69 g/mol, XLogP of 63.22, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine);3,8-bis(4-fluorophenyl)-1,10-phenanthroline;4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;tris(iridium);rhenium;2-(2H-thiophen-2-id-3-yl)-4-(trifluoromethyl)pyridine;bis(2-(2H-thiophen-2-id-3-yl)-5-(trifluoromethyl)pyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;tetrahydrochloride is sourced from PubChem (CID 157157562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).