5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate

C154H100F9N29O24Ru4S9 — CID 159726080

About 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate

5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate (PubChem CID 159726080) has the molecular formula C154H100F9N29O24Ru4S9 and a molecular weight of 3604.54 g/mol. Its IUPAC name is 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate.

Molecular Properties

• Compound Name: 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
• PubChem CID: 159726080
• Molecular Formula: C154H100F9N29O24Ru4S9
• Molecular Weight: 3604.54 g/mol
• Exact Mass: 3605.10
• IUPAC Name: 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
• SMILES: CC#Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.CCC/C=C/c1ccc(-c2ccc(-c3nc(-c4ccccc4)n[n-]3)nc2)s1.CCCCc1ccc(-c2ccc(-c3ccc(-c4cc(C(F)(F)F)n[n-]4)nc3)s2)s1.FC(F)(F)c1cc(-c2ccc(-c3ccc(-c4ccccc4)s3)cn2)[n-]n1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
• InChI: InChI=1S/C22H19N4S.C21H17F3N3S2.C19H11F3N3S.4C18H11N3O6.C16H9F3N3S.4CNS.4Ru/c1-2-3-5-10-18-12-14-20(27-18)17-11-13-19(23-15-17)22-24-21(25-26-22)16-8-6-4-7-9-16;1-2-3-4-14-6-8-18(28-14)19-10-9-17(29-19)13-5-7-15(25-12-13)16-11-20(27-26-16)21(22,23)24;20-19(21,22)18-10-15(24-25-18)14-7-6-13(11-23-14)17-9-8-16(26-17)12-4-2-1-3-5-12;4*22-9-26-12-2-4-20-15(6-12)17-8-13(27-10-23)7-16(21-17)14-5-11(18(24)25)1-3-19-14;1-2-3-11-5-7-14(23-11)10-4-6-12(20-9-10)13-8-15(22-21-13)16(17,18)19;4*2-1-3;;;;/h4-15H,2-3H2,1H3;5-12H,2-4H2,1H3;1-11H;4*1-10H,(H,24,25);4-9H,1H3;;;;;;;;/q3*-1;;;;;5*-1;4*+2/b10-5+
• InChIKey: NAQOJDCWVUTHLP-XOZMHDPCSA-N
• XLogP: 32.88
• TPSA: 775.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 50
• Rotatable Bonds: 45
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3604.54
LogP ≤ 5	32.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?

The IUPAC name of 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate (CID 159726080) is 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate.

What is the SMILES notation for 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?

The canonical SMILES for 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate is CC#Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.CCC/C=C/c1ccc(-c2ccc(-c3nc(-c4ccccc4)n[n-]3)nc2)s1.CCCCc1ccc(-c2ccc(-c3ccc(-c4cc(C(F)(F)F)n[n-]4)nc3)s2)s1.FC(F)(F)c1cc(-c2ccc(-c3ccc(-c4ccccc4)s3)cn2)[n-]n1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].

What is the InChIKey of 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?

The InChIKey is NAQOJDCWVUTHLP-XOZMHDPCSA-N. The full InChI is InChI=1S/C22H19N4S.C21H17F3N3S2.C19H11F3N3S.4C18H11N3O6.C16H9F3N3S.4CNS.4Ru/c1-2-3-5-10-18-12-14-20(27-18)17-11-13-19(23-15-17)22-24-21(25-26-22)16-8-6-4-7-9-16;1-2-3-4-14-6-8-18(28-14)19-10-9-17(29-19)13-5-7-15(25-12-13)16-11-20(27-26-16)21(22,23)24;20-19(21,22)18-10-15(24-25-18)14-7-6-13(11-23-14)17-9-8-16(26-17)12-4-2-1-3-5-12;4*22-9-26-12-2-4-20-15(6-12)17-8-13(27-10-23)7-16(21-17)14-5-11(18(24)25)1-3-19-14;1-2-3-11-5-7-14(23-11)10-4-6-12(20-9-10)13-8-15(22-21-13)16(17,18)19;4*2-1-3;;;;/h4-15H,2-3H2,1H3;5-12H,2-4H2,1H3;1-11H;4*1-10H,(H,24,25);4-9H,1H3;;;;;;;;/q3*-1;;;;;5*-1;4*+2/b10-5+;;;;;;;;;;;;;;;.

What are the key properties of 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?

5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate has a molecular weight of 3604.54 g/mol, XLogP of 32.88, 45 rotatable bonds, 4 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate is sourced from PubChem (CID 159726080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).