10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C179H171N9O15 — CID 161065712

About 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 161065712) has the molecular formula C179H171N9O15 and a molecular weight of 2688.38 g/mol. Its IUPAC name is 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

Molecular Properties

• Compound Name: 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
• PubChem CID: 161065712
• Molecular Formula: C179H171N9O15
• Molecular Weight: 2688.38 g/mol
• Exact Mass: 2686.29
• IUPAC Name: 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
• SMILES: CC.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(cc(-c5ccccc5NCOc5ccccc5)nc24)-c2ccccc2C3=O)cc1.CCCCCCCCCCCCc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC)cc3)c3nc(-c4c(O)cc(O)cc4O)cc4c3c2C(=O)c2ccccc2-4)cc1.CCOc1cc(Nc2ccccc2)c2c3c(cc(-c4ccccc4O)nc13)-c1ccccc1C2=O.COc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nc(-c4cc5ccccc5cc4O)cc4c3c2C(=O)c2ccccc2-4)cc1
• InChI: InChI=1S/C51H56N2O5.C49H45N3O3.C47H42N2O4.C30H22N2O3.C2H6/c1-5-7-8-9-10-11-12-13-14-15-18-33-21-25-35(26-22-33)52-42-32-45(58-37-27-23-34(24-28-37)51(3,4)6-2)49-46-40(38-19-16-17-20-39(38)50(57)48(42)46)31-41(53-49)47-43(55)29-36(54)30-44(47)56;1-48(2,3)30-49(4,5)32-24-26-35(27-25-32)55-43-29-42(51-33-16-8-6-9-17-33)45-44-39(36-20-12-13-21-37(36)47(45)53)28-41(52-46(43)44)38-22-14-15-23-40(38)50-31-54-34-18-10-7-11-19-34;1-46(2,3)27-47(4,5)30-15-19-33(20-16-30)53-41-26-39(48-31-17-21-32(52-6)22-18-31)43-42-36(34-13-9-10-14-35(34)45(43)51)25-38(49-44(41)42)37-23-28-11-7-8-12-29(28)24-40(37)50;1-2-35-26-17-24(31-18-10-4-3-5-11-18)28-27-22(19-12-6-7-13-20(19)30(28)34)16-23(32-29(26)27)21-14-8-9-15-25(21)33;1-2/h16-17,19-32,52,54-56H,5-15,18H2,1-4H3;6-29,50-51H,30-31H2,1-5H3;7-26,48,50H,27H2,1-6H3;3-17,31,33H,2H2,1H3;1-2H3
• InChIKey: UDZMYWPCIAXZPP-UHFFFAOYSA-N
• XLogP: 46.95
• TPSA: 336.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2688.38
LogP ≤ 5	46.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?

The IUPAC name of 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 161065712) is 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

What is the SMILES notation for 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?

The canonical SMILES for 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is CC.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(cc(-c5ccccc5NCOc5ccccc5)nc24)-c2ccccc2C3=O)cc1.CCCCCCCCCCCCc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC)cc3)c3nc(-c4c(O)cc(O)cc4O)cc4c3c2C(=O)c2ccccc2-4)cc1.CCOc1cc(Nc2ccccc2)c2c3c(cc(-c4ccccc4O)nc13)-c1ccccc1C2=O.COc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nc(-c4cc5ccccc5cc4O)cc4c3c2C(=O)c2ccccc2-4)cc1.

What is the InChIKey of 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?

The InChIKey is UDZMYWPCIAXZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N2O5.C49H45N3O3.C47H42N2O4.C30H22N2O3.C2H6/c1-5-7-8-9-10-11-12-13-14-15-18-33-21-25-35(26-22-33)52-42-32-45(58-37-27-23-34(24-28-37)51(3,4)6-2)49-46-40(38-19-16-17-20-39(38)50(57)48(42)46)31-41(53-49)47-43(55)29-36(54)30-44(47)56;1-48(2,3)30-49(4,5)32-24-26-35(27-25-32)55-43-29-42(51-33-16-8-6-9-17-33)45-44-39(36-20-12-13-21-37(36)47(45)53)28-41(52-46(43)44)38-22-14-15-23-40(38)50-31-54-34-18-10-7-11-19-34;1-46(2,3)27-47(4,5)30-15-19-33(20-16-30)53-41-26-39(48-31-17-21-32(52-6)22-18-31)43-42-36(34-13-9-10-14-35(34)45(43)51)25-38(49-44(41)42)37-23-28-11-7-8-12-29(28)24-40(37)50;1-2-35-26-17-24(31-18-10-4-3-5-11-18)28-27-22(19-12-6-7-13-20(19)30(28)34)16-23(32-29(26)27)21-14-8-9-15-25(21)33;1-2/h16-17,19-32,52,54-56H,5-15,18H2,1-4H3;6-29,50-51H,30-31H2,1-5H3;7-26,48,50H,27H2,1-6H3;3-17,31,33H,2H2,1H3;1-2H3.

What are the key properties of 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?

10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one has a molecular weight of 2688.38 g/mol, XLogP of 46.95, 42 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 10-anilino-12-ethoxy-15-(2-hydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-anilino-15-[2-(phenoxymethylamino)phenyl]-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;10-(4-dodecylanilino)-12-[4-(2-methylbutan-2-yl)phenoxy]-15-(2,4,6-trihydroxyphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;ethane;15-(3-hydroxynaphthalen-2-yl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 161065712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).