5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate

C146H118F9N22O16Ru3S12 — CID 158330878

IUPAC5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate
SMILESC#CC#CC#CC#Cc1ccsc1-c1cc(SC)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCOc1cc(C#Cc2cc[c-]c(-c3cc(C(F)(F)F)n[n-]3)c2)cc(OCCCCCC)c1.CCCCCSc1ccc(-c2sc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)c3c2OCCO3)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.FC(F)(F)c1cc(-c2ncncn2)[n-]n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+3]
InChIInChI=1S/C32H27N3O6S3.C30H33F3N2O2.2C26H17N3O4S2.C22H9F3N3S2.C7H3F3N5.3CNS.3Ru.6H2/c1-2-3-4-13-42-28-6-5-27(43-28)32-30-29(38-11-12-39-30)31(44-32)20-7-9-33-23(14-20)25-16-22(41-19-37)17-26(35-25)24-15-21(40-18-36)8-10-34-24;1-3-5-7-9-16-36-26-19-24(20-27(21-26)37-17-10-8-6-4-2)15-14-23-12-11-13-25(18-23)28-22-29(35-34-28)30(31,32)33;2*1-16-2-3-25(34-16)26-5-4-24(35-26)17-6-8-27-20(10-17)22-12-19(33-15-31)13-23(29-22)21-11-18(32-14-30)7-9-28-21;1-3-4-5-6-7-8-9-15-10-11-30-21(15)16-12-17(26-20(13-16)29-2)18-14-19(28-27-18)22(23,24)25;8-7(9,10)5-1-4(14-15-5)6-12-2-11-3-13-6;3*2-1-3;;;;;;;;;/h5-10,14-19H,2-4,11-13H2,1H3;11-12,18-22H,3-10,16-17H2,1-2H3;2*2-15H,1H3;1,10-14H,2H3;1-3H;;;;;;;6*1H/q;-2;;;5*-1;2*+2;+3;;;;;;
InChIKeyUYMXJTYPZOFGMQ-UHFFFAOYSA-N
MW3295.68 g/mol
LogP36.63
Rot. Bonds46

About 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate

5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate (PubChem CID 158330878) has the molecular formula C146H118F9N22O16Ru3S12 and a molecular weight of 3295.68 g/mol. Its IUPAC name is 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate.

Molecular Properties

Compound Name5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate
PubChem CID158330878
Molecular FormulaC146H118F9N22O16Ru3S12
Molecular Weight3295.68 g/mol
Exact Mass3295.27
IUPAC Name5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate
SMILESC#CC#CC#CC#Cc1ccsc1-c1cc(SC)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCOc1cc(C#Cc2cc[c-]c(-c3cc(C(F)(F)F)n[n-]3)c2)cc(OCCCCCC)c1.CCCCCSc1ccc(-c2sc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)c3c2OCCO3)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.FC(F)(F)c1cc(-c2ncncn2)[n-]n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+3]
InChIInChI=1S/C32H27N3O6S3.C30H33F3N2O2.2C26H17N3O4S2.C22H9F3N3S2.C7H3F3N5.3CNS.3Ru.6H2/c1-2-3-4-13-42-28-6-5-27(43-28)32-30-29(38-11-12-39-30)31(44-32)20-7-9-33-23(14-20)25-16-22(41-19-37)17-26(35-25)24-15-21(40-18-36)8-10-34-24;1-3-5-7-9-16-36-26-19-24(20-27(21-26)37-17-10-8-6-4-2)15-14-23-12-11-13-25(18-23)28-22-29(35-34-28)30(31,32)33;2*1-16-2-3-25(34-16)26-5-4-24(35-26)17-6-8-27-20(10-17)22-12-19(33-15-31)13-23(29-22)21-11-18(32-14-30)7-9-28-21;1-3-4-5-6-7-8-9-15-10-11-30-21(15)16-12-17(26-20(13-16)29-2)18-14-19(28-27-18)22(23,24)25;8-7(9,10)5-1-4(14-15-5)6-12-2-11-3-13-6;3*2-1-3;;;;;;;;;/h5-10,14-19H,2-4,11-13H2,1H3;11-12,18-22H,3-10,16-17H2,1-2H3;2*2-15H,1H3;1,10-14H,2H3;1-3H;;;;;;;6*1H/q;-2;;;5*-1;2*+2;+3;;;;;;
InChIKeyUYMXJTYPZOFGMQ-UHFFFAOYSA-N
XLogP36.63
TPSA510.16 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds46
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003295.68
LogP ≤ 536.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate?
The IUPAC name of 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate (CID 158330878) is 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate.
What is the SMILES notation for 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate?
The canonical SMILES for 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate is C#CC#CC#CC#Cc1ccsc1-c1cc(SC)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCOc1cc(C#Cc2cc[c-]c(-c3cc(C(F)(F)F)n[n-]3)c2)cc(OCCCCCC)c1.CCCCCSc1ccc(-c2sc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)c3c2OCCO3)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.Cc1ccc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)s1.FC(F)(F)c1cc(-c2ncncn2)[n-]n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+3].
What is the InChIKey of 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate?
The InChIKey is UYMXJTYPZOFGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O6S3.C30H33F3N2O2.2C26H17N3O4S2.C22H9F3N3S2.C7H3F3N5.3CNS.3Ru.6H2/c1-2-3-4-13-42-28-6-5-27(43-28)32-30-29(38-11-12-39-30)31(44-32)20-7-9-33-23(14-20)25-16-22(41-19-37)17-26(35-25)24-15-21(40-18-36)8-10-34-24;1-3-5-7-9-16-36-26-19-24(20-27(21-26)37-17-10-8-6-4-2)15-14-23-12-11-13-25(18-23)28-22-29(35-34-28)30(31,32)33;2*1-16-2-3-25(34-16)26-5-4-24(35-26)17-6-8-27-20(10-17)22-12-19(33-15-31)13-23(29-22)21-11-18(32-14-30)7-9-28-21;1-3-4-5-6-7-8-9-15-10-11-30-21(15)16-12-17(26-20(13-16)29-2)18-14-19(28-27-18)22(23,24)25;8-7(9,10)5-1-4(14-15-5)6-12-2-11-3-13-6;3*2-1-3;;;;;;;;;/h5-10,14-19H,2-4,11-13H2,1H3;11-12,18-22H,3-10,16-17H2,1-2H3;2*2-15H,1H3;1,10-14H,2H3;1-3H;;;;;;;6*1H/q;-2;;;5*-1;2*+2;+3;;;;;;.
What are the key properties of 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate?
5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate has a molecular weight of 3295.68 g/mol, XLogP of 36.63, 46 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3,5-dihexoxyphenyl)ethynyl]benzene-6-id-1-yl]-3-(trifluoromethyl)pyrazol-1-ide;bis([2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-methylsulfanyl-4-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;molecular hydrogen;bis(ruthenium(2+));ruthenium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;triisothiocyanate is sourced from PubChem (CID 158330878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).