About N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate
N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate (PubChem CID 157314164) has the molecular formula C178H145F3N18O16Ru3S14
and a molecular weight of 3601.37 g/mol. Its IUPAC name is N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate.
Frequently Asked Questions
What is the IUPAC name of N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate?
The IUPAC name of N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate (CID 157314164) is N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate.
What is the SMILES notation for N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate?
The canonical SMILES for N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate is CC#Cc1ccsc1-c1ccc(-c2ccnc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)c2)s1.CCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2ccnc(-c3[c-]cc(C)cc3C(F)(F)F)c2)cc1.Cc1ccsc1-c1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5[c-]ccc(OC=O)c5)n4)c3)s2)c2c1OCCO2.Cc1sccc1-c1sc(-c2ccc(-c3ccnc(-c4cc(OC=O)cc(-c5[c-]ccc(OC=O)c5)n4)c3)s2)c2c1OCCO2.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2cc3cc4sc(CCCC)cc4cc3s2)ccn1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2cc3ccc(C(C)(C)C)cc3s2)ccn1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+3].[Ru+3].
What is the InChIKey of N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate?
The InChIKey is ODHQBJSZLRUHSV-BEGGTJINSA-N. The full InChI is InChI=1S/C37H42F3N2.2C33H21N2O6S3.C28H17N3O4S2.C23H22N3S2.C21H22N3S.3CNS.3Ru/c1-4-6-8-10-12-29-15-19-31(20-16-29)42(32-21-17-30(18-22-32)13-11-9-7-5-2)33-24-25-41-36(27-33)34-23-14-28(3)26-35(34)37(38,39)40;1-19-24(8-12-42-19)32-30-31(39-11-10-38-30)33(44-32)29-6-5-28(43-29)21-7-9-34-26(14-21)27-16-23(41-18-37)15-25(35-27)20-3-2-4-22(13-20)40-17-36;1-19-8-12-42-31(19)33-30-29(38-10-11-39-30)32(44-33)28-6-5-27(43-28)21-7-9-34-25(14-21)26-16-23(41-18-37)15-24(35-26)20-3-2-4-22(13-20)40-17-36;1-2-3-18-8-11-36-28(18)27-5-4-26(37-27)19-6-9-29-22(12-19)24-14-21(35-17-33)15-25(31-24)23-13-20(34-16-32)7-10-30-23;1-3-4-5-18-9-16-11-23-17(13-22(16)27-18)12-21(28-23)15-6-7-26-20(10-15)19(25)8-14(2)24;1-13(22)9-17(23)18-10-15(7-8-24-18)19-11-14-5-6-16(21(2,3)4)12-20(14)25-19;3*2-1-3;;;/h14-22,24-27H,4-13H2,1-3H3;2*2,4-9,12-18H,10-11H2,1H3;4-17H,1H3;6-13,24-25H,3-5H2,1-2H3;5-12,22-23H,1-4H3;;;;;;/q3*-1;;5*-1;+2;2*+3/b;;;;19-8-,24-14+;17-9-,22-13+;;;;;;.
What are the key properties of N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate?
N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate has a molecular weight of 3601.37 g/mol, XLogP of 50.20, 49 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-hexylphenyl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyridin-4-amine;[(Z)-1-[4-(6-tert-butyl-1-benzothiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(6-butylthieno[2,3-f][1]benzothiol-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;[3-[4-formyloxy-6-[4-[5-[5-(3-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[3-[4-formyloxy-6-[4-[5-[7-(2-methylthiophen-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]benzene-4-id-1-yl] formate;[2-[4-formyloxy-6-[4-[5-(3-prop-1-ynylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);bis(ruthenium(3+));triisothiocyanate is sourced from PubChem (CID 157314164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).