About 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate
4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate (PubChem CID 158586039) has the molecular formula C396H480N12O54
and a molecular weight of 6272.23 g/mol. Its IUPAC name is 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate.
Frequently Asked Questions
What is the IUPAC name of 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate?
The IUPAC name of 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate (CID 158586039) is 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate.
What is the SMILES notation for 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate?
The canonical SMILES for 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate is CCC(C)C(=O)OCCCCCCOc1ccc(/C=C/C(=O)c2ccc(OC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)cc2)cc1.CCCCCCOc1ccc(-c2ccc(Oc3ccc(/C=C/C(=O)OCCCCCCOc4cc(C)cc(N5C(=O)C6C7C(=O)N(C)C(=O)C7C6C5=O)c4)cc3)cc2)cc1.CCCCCCOc1ccc(-c2ccc(Oc3ccc(C#Cc4ccc(OCCCCCCOc5cc(C)cc(N6C(=O)C7C8C(=O)N(C)C(=O)C8C7C6=O)c5)cc4)cc3)cc2)cc1.CCCCCCOc1ccc(-c2ccc(Oc3ccc(C(=O)/C=C/c4ccc(OCCCCCCOc5cc(C)cc(N6C(=O)C7C8C(=O)N(C)C(=O)C8C7C6=O)c5)cc4)cc3)cc2)cc1.Cc1cc(OCCCCCCOC(=O)/C=C/c2ccc(OC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)cc2)cc(N2C(=O)C3C4C(=O)N(C)C(=O)C4C3C2=O)c1.Cc1cc(OCCCCCCOc2ccc(/C=C/C(=O)c3ccc(OC4CCC5(C)C(CCC6C5CCC5(C)C(C(C)CCCC(C)C)CCC65)C4)cc3)cc2)cc(N2C(=O)C3C4C(=O)N(C)C(=O)C4C3C2=O)c1.Cc1cc(OCCCCCCOc2ccc(C#Cc3ccc(OC4CCC5(C)C(CCC6C5CCC5(C)C(C(C)CCCC(C)C)CCC65)C4)cc3)cc2)cc(N2C(=O)C3C4C(=O)N(C)C(=O)C4C3C2=O)c1.
What is the InChIKey of 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate?
The InChIKey is HTVKGZHCHZCJGK-SFUSACNYSA-N. The full InChI is InChI=1S/C64H82N2O8.C63H80N2O7.C58H78N2O8.C55H56N2O9.C54H54N2O8.C53H78O5.C49H52N2O9/c1-39(2)13-12-14-41(4)51-26-27-52-50-25-20-44-37-48(29-31-63(44,5)53(50)30-32-64(51,52)6)74-47-23-18-43(19-24-47)54(67)28-17-42-15-21-46(22-16-42)72-33-10-8-9-11-34-73-49-36-40(3)35-45(38-49)66-61(70)57-55-56(58(57)62(66)71)60(69)65(7)59(55)68;1-39(2)13-12-14-41(4)51-27-28-52-50-26-21-44-37-48(29-31-62(44,5)53(50)30-32-63(51,52)6)72-47-24-19-43(20-25-47)16-15-42-17-22-46(23-18-42)70-33-10-8-9-11-34-71-49-36-40(3)35-45(38-49)65-60(68)56-54-55(57(56)61(65)69)59(67)64(7)58(54)66;1-35(2)13-12-14-37(4)45-22-23-46-44-21-18-39-33-42(25-27-57(39,5)47(44)26-28-58(45,46)6)68-41-19-15-38(16-20-41)17-24-48(61)67-30-11-9-8-10-29-66-43-32-36(3)31-40(34-43)60-55(64)51-49-50(52(51)56(60)65)54(63)59(7)53(49)62;1-4-5-6-9-30-64-43-23-15-38(16-24-43)39-17-25-44(26-18-39)66-45-27-19-40(20-28-45)47(58)29-14-37-12-21-42(22-13-37)63-31-10-7-8-11-32-65-46-34-36(2)33-41(35-46)57-54(61)50-48-49(51(50)55(57)62)53(60)56(3)52(48)59;1-4-5-6-9-30-62-43-26-18-39(19-27-43)40-20-28-45(29-21-40)64-44-24-16-38(17-25-44)13-12-37-14-22-42(23-15-37)61-31-10-7-8-11-32-63-46-34-36(2)33-41(35-46)56-53(59)49-47-48(50(49)54(56)60)52(58)55(3)51(47)57;1-8-38(4)51(55)57-35-12-10-9-11-34-56-43-22-16-40(17-23-43)18-29-50(54)41-19-24-44(25-20-41)58-45-30-32-52(6)42(36-45)21-26-46-48-28-27-47(39(5)15-13-14-37(2)3)53(48,7)33-31-49(46)52;1-4-5-6-9-26-57-37-21-15-34(16-22-37)35-17-23-39(24-18-35)60-38-19-12-33(13-20-38)14-25-41(52)59-28-11-8-7-10-27-58-40-30-32(2)29-36(31-40)51-48(55)44-42-43(45(44)49(51)56)47(54)50(3)46(42)53/h15-19,21-24,28,35-36,38-39,41,44,48,50-53,55-58H,8-14,20,25-27,29-34,37H2,1-7H3;17-20,22-25,35-36,38-39,41,44,48,50-57H,8-14,21,26-34,37H2,1-7H3;15-17,19-20,24,31-32,34-35,37,39,42,44-47,49-52H,8-14,18,21-23,25-30,33H2,1-7H3;12-29,33-35,48-51H,4-11,30-32H2,1-3H3;14-29,33-35,47-50H,4-11,30-32H2,1-3H3;16-20,22-25,29,37-39,42,45-49H,8-15,21,26-28,30-36H2,1-7H3;12-25,29-31,42-45H,4-11,26-28H2,1-3H3/b28-17+;;24-17+;29-14+;;29-18+;25-14+.
What are the key properties of 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate?
4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate has a molecular weight of 6272.23 g/mol, XLogP of 80.97, 136 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[4-[2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[4-[(E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylbutanoate;4-[3-[6-[4-[2-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]ethynyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4-[3-[6-[4-[(E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]hexoxy]-5-methylphenyl]-9-methyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]prop-2-enoate;6-[3-methyl-5-(9-methyl-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl)phenoxy]hexyl (E)-3-[4-[4-(4-hexoxyphenyl)phenoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 158586039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).