tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate

C168H147F9N26O22Ru3S3 — CID 157054993

IUPACtris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate
SMILESO=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(OCCCCC)cc2)c2ccc(OCCCCC)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1ccc(N(c2ccc(OCCCCC)cc2)c2ccc(OCCCCC)cc2)cn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C49H42F3N6.2C31H36F3N4O2.3C18H11N3O6.3CNS.3Ru/c1-33-5-13-37(14-6-33)56(38-15-7-34(2)8-16-38)41-21-25-43(26-22-41)58(45-29-30-55-47(31-45)46(53)32-48(54)49(50,51)52)44-27-23-42(24-28-44)57(39-17-9-35(3)10-18-39)40-19-11-36(4)12-20-40;1-3-5-7-19-39-26-14-9-23(10-15-26)38(24-11-16-27(17-12-24)40-20-8-6-4-2)25-13-18-29(37-22-25)28(35)21-30(36)31(32,33)34;1-3-5-7-19-39-26-13-9-23(10-14-26)38(24-11-15-27(16-12-24)40-20-8-6-4-2)25-17-18-37-29(21-25)28(35)22-30(36)31(32,33)34;3*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;3*2-1-3;;;/h5-32,53-54H,1-4H3;2*9-18,21-22,35-36H,3-8,19-20H2,1-2H3;3*1-11H;;;;;;/q3*-1;;;;3*-1;3*+2/b46-32-,54-48-;28-21-,36-30-;28-22-,36-30-;;;;;;;;;
InChIKeyAAQMBRSZZJDOPV-ZMSGVWRFSA-N
MW3452.58 g/mol
LogP41.43
Rot. Bonds65

About tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate

tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate (PubChem CID 157054993) has the molecular formula C168H147F9N26O22Ru3S3 and a molecular weight of 3452.58 g/mol. Its IUPAC name is tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate.

Molecular Properties

Compound Nametris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate
PubChem CID157054993
Molecular FormulaC168H147F9N26O22Ru3S3
Molecular Weight3452.58 g/mol
Exact Mass3452.73
IUPAC Nametris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate
SMILESO=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(OCCCCC)cc2)c2ccc(OCCCCC)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1ccc(N(c2ccc(OCCCCC)cc2)c2ccc(OCCCCC)cc2)cn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C49H42F3N6.2C31H36F3N4O2.3C18H11N3O6.3CNS.3Ru/c1-33-5-13-37(14-6-33)56(38-15-7-34(2)8-16-38)41-21-25-43(26-22-41)58(45-29-30-55-47(31-45)46(53)32-48(54)49(50,51)52)44-27-23-42(24-28-44)57(39-17-9-35(3)10-18-39)40-19-11-36(4)12-20-40;1-3-5-7-19-39-26-14-9-23(10-15-26)38(24-11-16-27(17-12-24)40-20-8-6-4-2)25-13-18-29(37-22-25)28(35)21-30(36)31(32,33)34;1-3-5-7-19-39-26-13-9-23(10-14-26)38(24-11-15-27(16-12-24)40-20-8-6-4-2)25-17-18-37-29(21-25)28(35)22-30(36)31(32,33)34;3*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;3*2-1-3;;;/h5-32,53-54H,1-4H3;2*9-18,21-22,35-36H,3-8,19-20H2,1-2H3;3*1-11H;;;;;;/q3*-1;;;;3*-1;3*+2/b46-32-,54-48-;28-21-,36-30-;28-22-,36-30-;;;;;;;;;
InChIKeyAAQMBRSZZJDOPV-ZMSGVWRFSA-N
XLogP41.43
TPSA654.35 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds65
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003452.58
LogP ≤ 541.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

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'}

Analyze tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[(Z)-1-[4-(ditert-butylamino)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 140687210
[(Z)-1-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]anilino]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 140687260
[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687320
[(Z)-1-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 140687373
[(Z)-1-[4-[di(propan-2-yl)amino]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 140687432
2-[2-[4-formyloxy-6-[4-(2-formyloxyethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethynyl formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687486
[(Z)-1-[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 140687523
[(Z)-1-[4-[4-[di(propan-2-yl)amino]-N-[4-[di(propan-2-yl)amino]phenyl]anilino]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 140687548
2-[2-[4-formyloxy-6-[4-(2-formyloxyethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethynyl formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687568
[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687570
[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687590
[(Z)-1-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140700988

Frequently Asked Questions

What is the IUPAC name of tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
The IUPAC name of tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate (CID 157054993) is tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate.
What is the SMILES notation for tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
The canonical SMILES for tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate is O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(N(c2ccc(OCCCCC)cc2)c2ccc(OCCCCC)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1ccc(N(c2ccc(OCCCCC)cc2)c2ccc(OCCCCC)cc2)cn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
The InChIKey is AAQMBRSZZJDOPV-ZMSGVWRFSA-N. The full InChI is InChI=1S/C49H42F3N6.2C31H36F3N4O2.3C18H11N3O6.3CNS.3Ru/c1-33-5-13-37(14-6-33)56(38-15-7-34(2)8-16-38)41-21-25-43(26-22-41)58(45-29-30-55-47(31-45)46(53)32-48(54)49(50,51)52)44-27-23-42(24-28-44)57(39-17-9-35(3)10-18-39)40-19-11-36(4)12-20-40;1-3-5-7-19-39-26-14-9-23(10-15-26)38(24-11-16-27(17-12-24)40-20-8-6-4-2)25-13-18-29(37-22-25)28(35)21-30(36)31(32,33)34;1-3-5-7-19-39-26-13-9-23(10-14-26)38(24-11-15-27(16-12-24)40-20-8-6-4-2)25-17-18-37-29(21-25)28(35)22-30(36)31(32,33)34;3*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;3*2-1-3;;;/h5-32,53-54H,1-4H3;2*9-18,21-22,35-36H,3-8,19-20H2,1-2H3;3*1-11H;;;;;;/q3*-1;;;;3*-1;3*+2/b46-32-,54-48-;28-21-,36-30-;28-22-,36-30-;;;;;;;;;.
What are the key properties of tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate?
tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate has a molecular weight of 3452.58 g/mol, XLogP of 41.43, 65 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentoxy-N-(4-pentoxyphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;triisothiocyanate is sourced from PubChem (CID 157054993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).