4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate

C290H278N32O38Ru6S6 — CID 160901910

IUPAC4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate
SMILESCCCCC(CC)CCc1ccc(-c2[c-]cc(C)cc2)nc1.CCCCC(CC)CCc1ccnc(-c2[c-]cc(C)cc2)c1.CCCCC(CC)COc1ccc(-c2[c-]cc(C)cc2)nc1.CCCCC(CC)COc1ccnc(-c2[c-]cc(C)cc2)c1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(-c3[c-]cc(C)cc3)nc2)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccnc(-c3[c-]cc(C)cc3)c2)cc1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/2C34H39N2.C24H17N3O6.5C22H15N3O6.2C21H28N.2C20H26NO.6CNS.6Ru/c1-4-6-8-10-28-14-20-31(21-15-28)36(32-22-16-29(17-23-32)11-9-7-5-2)33-24-25-35-34(26-33)30-18-12-27(3)13-19-30;1-4-6-8-10-28-14-20-31(21-15-28)36(32-22-16-29(17-23-32)11-9-7-5-2)33-24-25-34(35-26-33)30-18-12-27(3)13-19-30;28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;5*26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;1-4-6-7-18(5-2)10-11-19-12-15-21(22-16-19)20-13-8-17(3)9-14-20;1-4-6-7-18(5-2)10-11-19-14-15-22-21(16-19)20-12-8-17(3)9-13-20;1-4-6-7-17(5-2)15-22-19-12-13-21-20(14-19)18-10-8-16(3)9-11-18;1-4-6-7-17(5-2)15-22-19-12-13-20(21-14-19)18-10-8-16(3)9-11-18;6*2-1-3;;;;;;/h2*12-18,20-26H,4-11H2,1-3H3;1-17H;5*1-15H;8-9,12-13,15-16,18H,4-7,10-11H2,1-3H3;8-9,12,14-16,18H,4-7,10-11H2,1-3H3;2*8-10,12-14,17H,4-7,15H2,1-3H3;;;;;;;;;;;;/q2*-1;;;;;;;10*-1;6*+2/b;;8-3+,9-4+,10-5+;5*7-3+,8-4+;;;;;;;;;;;;;;;;
InChIKeyFXJTYGLRURZCHR-XGJSACEQSA-N
MW5618.42 g/mol
LogP65.22
Rot. Bonds117

About 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate

4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate (PubChem CID 160901910) has the molecular formula C290H278N32O38Ru6S6 and a molecular weight of 5618.42 g/mol. Its IUPAC name is 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate.

Molecular Properties

Compound Name4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate
PubChem CID160901910
Molecular FormulaC290H278N32O38Ru6S6
Molecular Weight5618.42 g/mol
Exact Mass5619.34
IUPAC Name4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate
SMILESCCCCC(CC)CCc1ccc(-c2[c-]cc(C)cc2)nc1.CCCCC(CC)CCc1ccnc(-c2[c-]cc(C)cc2)c1.CCCCC(CC)COc1ccc(-c2[c-]cc(C)cc2)nc1.CCCCC(CC)COc1ccnc(-c2[c-]cc(C)cc2)c1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(-c3[c-]cc(C)cc3)nc2)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccnc(-c3[c-]cc(C)cc3)c2)cc1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/2C34H39N2.C24H17N3O6.5C22H15N3O6.2C21H28N.2C20H26NO.6CNS.6Ru/c1-4-6-8-10-28-14-20-31(21-15-28)36(32-22-16-29(17-23-32)11-9-7-5-2)33-24-25-35-34(26-33)30-18-12-27(3)13-19-30;1-4-6-8-10-28-14-20-31(21-15-28)36(32-22-16-29(17-23-32)11-9-7-5-2)33-24-25-34(35-26-33)30-18-12-27(3)13-19-30;28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;5*26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;1-4-6-7-18(5-2)10-11-19-12-15-21(22-16-19)20-13-8-17(3)9-14-20;1-4-6-7-18(5-2)10-11-19-14-15-22-21(16-19)20-12-8-17(3)9-13-20;1-4-6-7-17(5-2)15-22-19-12-13-21-20(14-19)18-10-8-16(3)9-11-18;1-4-6-7-17(5-2)15-22-19-12-13-20(21-14-19)18-10-8-16(3)9-11-18;6*2-1-3;;;;;;/h2*12-18,20-26H,4-11H2,1-3H3;1-17H;5*1-15H;8-9,12-13,15-16,18H,4-7,10-11H2,1-3H3;8-9,12,14-16,18H,4-7,10-11H2,1-3H3;2*8-10,12-14,17H,4-7,15H2,1-3H3;;;;;;;;;;;;/q2*-1;;;;;;;10*-1;6*+2/b;;8-3+,9-4+,10-5+;5*7-3+,8-4+;;;;;;;;;;;;;;;;
InChIKeyFXJTYGLRURZCHR-XGJSACEQSA-N
XLogP65.22
TPSA941.50 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds117
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005618.42
LogP ≤ 565.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Analyze 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate with MolForge

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Related Compounds

N,N-bis(4-pentylphenyl)-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinolin-6-amine;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 153445705
[N-ethanimidoyl-C-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]carbonimidoyl]azanide;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701020
[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] 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 140701100
[(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
[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-[4-(4-pentyl-N-(4-pentylphenyl)anilino)phenyl]-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140701143
[N-(2,2-dimethylpropanimidoyl)-C-[4-[4-(4-pentyl-N-(4-pentylphenyl)anilino)phenyl]-2-pyridinyl]carbonimidoyl]azanide;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701073
N,N-bis(4-tert-butylphenyl)-4-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]aniline;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 153445599
[(Z)-1-[4-[bis(2-ethylhexyl)amino]-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 140701034
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine;pentane-2,4-diol;ruthenium
CID 58250380
N,N-bis(4-octoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[4-formyloxy-6-[4-[2-(5-methylfuran-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780472
2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445744
N,N-bis(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[4-formyloxy-6-[4-[2-(3-hexyl-5-methylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780471

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate?
The IUPAC name of 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate (CID 160901910) is 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate.
What is the SMILES notation for 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate?
The canonical SMILES for 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate is CCCCC(CC)CCc1ccc(-c2[c-]cc(C)cc2)nc1.CCCCC(CC)CCc1ccnc(-c2[c-]cc(C)cc2)c1.CCCCC(CC)COc1ccc(-c2[c-]cc(C)cc2)nc1.CCCCC(CC)COc1ccnc(-c2[c-]cc(C)cc2)c1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(-c3[c-]cc(C)cc3)nc2)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccnc(-c3[c-]cc(C)cc3)c2)cc1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate?
The InChIKey is FXJTYGLRURZCHR-XGJSACEQSA-N. The full InChI is InChI=1S/2C34H39N2.C24H17N3O6.5C22H15N3O6.2C21H28N.2C20H26NO.6CNS.6Ru/c1-4-6-8-10-28-14-20-31(21-15-28)36(32-22-16-29(17-23-32)11-9-7-5-2)33-24-25-35-34(26-33)30-18-12-27(3)13-19-30;1-4-6-8-10-28-14-20-31(21-15-28)36(32-22-16-29(17-23-32)11-9-7-5-2)33-24-25-34(35-26-33)30-18-12-27(3)13-19-30;28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;5*26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;1-4-6-7-18(5-2)10-11-19-12-15-21(22-16-19)20-13-8-17(3)9-14-20;1-4-6-7-18(5-2)10-11-19-14-15-22-21(16-19)20-12-8-17(3)9-13-20;1-4-6-7-17(5-2)15-22-19-12-13-21-20(14-19)18-10-8-16(3)9-11-18;1-4-6-7-17(5-2)15-22-19-12-13-20(21-14-19)18-10-8-16(3)9-11-18;6*2-1-3;;;;;;/h2*12-18,20-26H,4-11H2,1-3H3;1-17H;5*1-15H;8-9,12-13,15-16,18H,4-7,10-11H2,1-3H3;8-9,12,14-16,18H,4-7,10-11H2,1-3H3;2*8-10,12-14,17H,4-7,15H2,1-3H3;;;;;;;;;;;;/q2*-1;;;;;;;10*-1;6*+2/b;;8-3+,9-4+,10-5+;5*7-3+,8-4+;;;;;;;;;;;;;;;;.
What are the key properties of 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate?
4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate has a molecular weight of 5618.42 g/mol, XLogP of 65.22, 117 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(3-ethylheptyl)-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2-ethylhexoxy)-2-(4-methylbenzene-6-id-1-yl)pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-4-amine;6-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyridin-3-amine;hexakis(ruthenium(2+));hexaisothiocyanate is sourced from PubChem (CID 160901910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).