About 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one (PubChem CID 158282804) has the molecular formula C195H188N10O10S5
and a molecular weight of 2992.04 g/mol. Its IUPAC name is 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.
Frequently Asked Questions
What is the IUPAC name of 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The IUPAC name of 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one (CID 158282804) is 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.
What is the SMILES notation for 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The canonical SMILES for 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is CC(C)(C)c1ccc2c(c1)c1ccccc1c1nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)sc21.CC(C)(C)c1ccc2c(c1)c1ccccc1c1sc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)nc21.CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(-c2ccccc2)c(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(C2CCCC2)c(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(C2CCCCC2)c(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.
What is the InChIKey of 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The InChIKey is GKKKDKQOCJPNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2O2S.C40H34N2O2S.C39H38N2O2S.2C38H38N2O2S/c2*1-39(2)18-20-42-21-19-40(3,4)32-34(42)29(39)22-28-30(23-12-6-5-7-13-23)31(38(43)44-35(28)32)37-41-33-26-16-10-8-14-24(26)25-15-9-11-17-27(25)36(33)45-37;1-38(2)17-19-41-20-18-39(3,4)31-33(41)28(38)21-27-29(22-11-5-6-12-22)30(37(42)43-34(27)31)36-40-32-25-15-9-7-13-23(25)24-14-8-10-16-26(24)35(32)44-36;1-36(2,3)22-12-13-24-26(20-22)23-10-8-9-11-25(23)33-30(24)39-34(43-33)27-18-21-19-28-31-29(32(21)42-35(27)41)38(6,7)15-17-40(31)16-14-37(28,4)5;1-36(2,3)22-12-13-25-26(20-22)23-10-8-9-11-24(23)30-33(25)43-34(39-30)27-18-21-19-28-31-29(32(21)42-35(27)41)38(6,7)15-17-40(31)16-14-37(28,4)5/h8-11,14-17,22-23H,5-7,12-13,18-21H2,1-4H3;5-17,22H,18-21H2,1-4H3;7-10,13-16,21-22H,5-6,11-12,17-20H2,1-4H3;2*8-13,18-20H,14-17H2,1-7H3.
What are the key properties of 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one has a molecular weight of 2992.04 g/mol, XLogP of 50.69, 8 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(9-tert-butylphenanthro[9,10-d][1,3]thiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclohexyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-cyclopentyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is sourced from PubChem (CID 158282804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).