[2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate

C163H142F9N21O15Ru3S7 — CID 158334062

About [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate

[2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate (PubChem CID 158334062) has the molecular formula C163H142F9N21O15Ru3S7 and a molecular weight of 3333.72 g/mol. Its IUPAC name is [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate.

Molecular Properties

• Compound Name: [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate
• PubChem CID: 158334062
• Molecular Formula: C163H142F9N21O15Ru3S7
• Molecular Weight: 3333.72 g/mol
• Exact Mass: 3333.60
• IUPAC Name: [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate
• SMILES: CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c(CCCCCC)s1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/c4cc5sccc5s4)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/c4ccc5ccccc5c4)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C#Cc4ccc5oc6ccccc6c5c4)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2]
• InChI: InChI=1S/C31H41F3N3O2.C31H17N3O5.C29H19N3O4.C25H31F3N3S.C25H15N3O4S2.C19H19F3N3S.3CNS.3Ru/c1-3-5-7-9-11-13-20-38-27-16-15-17-28(39-21-14-12-10-8-6-4-2)30(27)24-18-19-35-25(22-24)26-23-29(37-36-26)31(32,33)34;35-18-37-22-10-12-33-27(15-22)29-17-23(38-19-36)16-28(34-29)26-14-21(9-11-32-26)6-5-20-7-8-31-25(13-20)24-3-1-2-4-30(24)39-31;33-18-35-24-10-12-31-27(15-24)29-17-25(36-19-34)16-28(32-29)26-14-21(9-11-30-26)6-5-20-7-8-22-3-1-2-4-23(22)13-20;1-3-5-7-9-11-19-16-20(23(32-19)12-10-8-6-4-2)18-13-14-29-21(15-18)22-17-24(31-30-22)25(26,27)28;29-14-31-17-4-7-27-21(10-17)23-12-18(32-15-30)11-22(28-23)20-9-16(3-6-26-20)1-2-19-13-25-24(34-19)5-8-33-25;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;3*2-1-3;;;/h15-19,22-23H,3-14,20-21H2,1-2H3;1-4,7-19H;1-19H;13-17H,3-12H2,1-2H3;1-15H;7-12H,2-6H2,1H3;;;;;;/q-1;;;-1;;4*-1;3*+2/b;;6-5+;;2-1+
• InChIKey: GQJDDQGENHLKDI-KCICYSQESA-N
• XLogP: 42.20
• TPSA: 491.95 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 59
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3333.72
LogP ≤ 5	42.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

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'}

Frequently Asked Questions

What is the IUPAC name of [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate?

The IUPAC name of [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate (CID 158334062) is [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate.

What is the SMILES notation for [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate?

The canonical SMILES for [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate is CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c(CCCCCC)s1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/c4cc5sccc5s4)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/c4ccc5ccccc5c4)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C#Cc4ccc5oc6ccccc6c5c4)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].

What is the InChIKey of [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate?

The InChIKey is GQJDDQGENHLKDI-KCICYSQESA-N. The full InChI is InChI=1S/C31H41F3N3O2.C31H17N3O5.C29H19N3O4.C25H31F3N3S.C25H15N3O4S2.C19H19F3N3S.3CNS.3Ru/c1-3-5-7-9-11-13-20-38-27-16-15-17-28(39-21-14-12-10-8-6-4-2)30(27)24-18-19-35-25(22-24)26-23-29(37-36-26)31(32,33)34;35-18-37-22-10-12-33-27(15-22)29-17-23(38-19-36)16-28(34-29)26-14-21(9-11-32-26)6-5-20-7-8-31-25(13-20)24-3-1-2-4-30(24)39-31;33-18-35-24-10-12-31-27(15-24)29-17-25(36-19-34)16-28(32-29)26-14-21(9-11-30-26)6-5-20-7-8-22-3-1-2-4-23(22)13-20;1-3-5-7-9-11-19-16-20(23(32-19)12-10-8-6-4-2)18-13-14-29-21(15-18)22-17-24(31-30-22)25(26,27)28;29-14-31-17-4-7-27-21(10-17)23-12-18(32-15-30)11-22(28-23)20-9-16(3-6-26-20)1-2-19-13-25-24(34-19)5-8-33-25;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;3*2-1-3;;;/h15-19,22-23H,3-14,20-21H2,1-2H3;1-4,7-19H;1-19H;13-17H,3-12H2,1-2H3;1-15H;7-12H,2-6H2,1H3;;;;;;/q-1;;;-1;;4*-1;3*+2/b;;6-5+;;2-1+;;;;;;;.

What are the key properties of [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate?

[2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate has a molecular weight of 3333.72 g/mol, XLogP of 42.20, 59 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate is sourced from PubChem (CID 158334062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).