About (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile
(2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile (PubChem CID 158437450) has the molecular formula C165H154ClN9O16
and a molecular weight of 2554.55 g/mol. Its IUPAC name is (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile.
Frequently Asked Questions
What is the IUPAC name of (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile?
The IUPAC name of (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile (CID 158437450) is (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile.
What is the SMILES notation for (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile?
The canonical SMILES for (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile is CC1=C/C(=C(/C)C#N)C=C(/C=C2\C=C(C)c3cc4c5c(c3O2)C(C)(C)CCN5CCC4(C)C)O1.CC1=C/C(=C2\C(=O)c3cc(C)c(Cl)cc3C2=O)C=C(/C=C2\C=C(C)c3cc4c5c(c3O2)C(C)(C)CCN5CCC4(C)C)O1.CC1=CC(=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C=C(/C=C2\C=C(C)c3ccc(N(c4ccccc4)c4ccccc4)cc3O2)O1.CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(/C=C2\C=C(C)c3cc4c(cc3O2)N(C)CCC4)O1.CCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C(\C)C#N)C=C(C)O1)C=C2C.
What is the InChIKey of (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile?
The InChIKey is HCKFQJUHAGURSD-QSBKZATQSA-N. The full InChI is InChI=1S/C44H33N3O4.C37H36ClNO4.C30H34N2O2.C30H25NO4.C24H26N2O2/c1-30-25-38(51-41-28-37(23-24-40(30)41)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34)29-39-27-32(26-31(2)50-39)42-43(48)46(35-19-11-5-12-20-35)47(44(42)49)36-21-13-6-14-22-36;1-19-12-23(43-35-25(19)17-28-32-31(35)37(6,7)9-11-39(32)10-8-36(28,4)5)16-24-15-22(14-21(3)42-24)30-33(40)26-13-20(2)29(38)18-27(26)34(30)41;1-18-12-22(15-23-14-21(19(2)17-31)13-20(3)33-23)34-28-24(18)16-25-27-26(28)30(6,7)9-11-32(27)10-8-29(25,4)5;1-17-11-21(35-27-16-26-19(14-25(17)27)7-6-10-31(26)3)15-22-13-20(12-18(2)34-22)28-29(32)23-8-4-5-9-24(23)30(28)33;1-6-26(7-2)20-8-9-23-16(3)10-21(28-24(23)13-20)14-22-12-19(17(4)15-25)11-18(5)27-22/h3-29H,1-2H3;12-18H,8-11H2,1-7H3;12-16H,8-11H2,1-7H3;4-5,8-9,11-16H,6-7,10H2,1-3H3;8-14H,6-7H2,1-5H3/b38-29+;23-16+,30-22-;21-19+,22-15+;21-15+;19-17+,21-14+.
What are the key properties of (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile?
(2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile has a molecular weight of 2554.55 g/mol, XLogP of 37.64, 13 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile is sourced from PubChem (CID 158437450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).