About 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione
2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione (PubChem CID 162180836) has the molecular formula C240H214N12O25S
and a molecular weight of 3698.48 g/mol. Its IUPAC name is 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione?
The IUPAC name of 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione (CID 162180836) is 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione.
What is the SMILES notation for 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione?
The canonical SMILES for 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione is CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C=Cc2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1.CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C=Cc2cc3c4c(c2)CCCN4CCC3)O1.CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C=Cc2ccc(N(C)C)cc2)O1.CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C=Cc2ccc(N(C)C)cc2)O1.CCN(CC)c1ccc(C=CC2=CC(=C3C(=O)c4ccccc4C3=O)C=C(C)S2)c(OC)c1.CCN1C(C)=CC(=C2C(=O)c3ccccc3C2=O)C=C1C=Cc1ccc(N(CCO)CCO)cc1C.CN(C)c1ccc(C=CC2=CC(=C3C(=O)c4ccccc4C3=O)C=C(C=Cc3ccc(N(C)C)cc3)O2)cc1.N#CCCN(CCC#N)c1ccc(C=CC2=CC(=C3C(=O)c4ccccc4C3=O)c3ccccc3O2)c2ccccc12.
What is the InChIKey of 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione?
The InChIKey is ZOZMQJQRZDJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O3.C34H30N2O3.C33H33NO3.C30H32N2O4.C29H25NO3.C28H27NO3S.2C25H21NO3/c37-19-7-21-39(22-8-20-38)32-18-16-24(26-9-1-2-10-27(26)32)15-17-25-23-31(28-11-5-6-14-33(28)42-25)34-35(40)29-12-3-4-13-30(29)36(34)41;1-35(2)26-15-9-23(10-16-26)13-19-28-21-25(32-33(37)30-7-5-6-8-31(30)34(32)38)22-29(39-28)20-14-24-11-17-27(18-12-24)36(3)4;1-20-16-22(28-30(35)24-8-6-7-9-25(24)31(28)36)19-23(37-20)11-10-21-17-26-29-27(18-21)33(4,5)13-15-34(29)14-12-32(26,2)3;1-4-32-21(3)18-23(28-29(35)26-7-5-6-8-27(26)30(28)36)19-25(32)12-10-22-9-11-24(17-20(22)2)31(13-15-33)14-16-34;1-18-14-22(26-28(31)24-8-2-3-9-25(24)29(26)32)17-23(33-18)11-10-19-15-20-6-4-12-30-13-5-7-21(16-19)27(20)30;1-5-29(6-2)21-13-11-19(25(17-21)32-4)12-14-22-16-20(15-18(3)33-22)26-27(30)23-9-7-8-10-24(23)28(26)31;2*1-16-14-18(23-24(27)21-6-4-5-7-22(21)25(23)28)15-20(29-16)13-10-17-8-11-19(12-9-17)26(2)3/h1-6,9-18,23H,7-8,21-22H2;5-22H,1-4H3;6-11,16-19H,12-15H2,1-5H3;5-12,17-19,33-34H,4,13-16H2,1-3H3;2-3,8-11,14-17H,4-7,12-13H2,1H3;7-17H,5-6H2,1-4H3;2*4-15H,1-3H3.
What are the key properties of 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione?
2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione has a molecular weight of 3698.48 g/mol, XLogP of 47.35, 37 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione;2-[2-[2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-1-ethyl-6-methyl-4-pyridinylidene]indene-1,3-dione;3-[2-cyanoethyl-[4-[2-[4-(1,3-dioxoinden-2-ylidene)chromen-2-yl]ethenyl]naphthalen-1-yl]amino]propanenitrile;2-[2-[2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]-6-methylthiopyran-4-ylidene]indene-1,3-dione;bis(2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione);2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]indene-1,3-dione is sourced from PubChem (CID 162180836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).