16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate

C167H149N15O16S — CID 161282762

About 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate

16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate (PubChem CID 161282762) has the molecular formula C167H149N15O16S and a molecular weight of 2654.18 g/mol. Its IUPAC name is 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate.

Molecular Properties

• Compound Name: 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate
• PubChem CID: 161282762
• Molecular Formula: C167H149N15O16S
• Molecular Weight: 2654.18 g/mol
• Exact Mass: 2652.10
• IUPAC Name: 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate
• SMILES: CC.CCC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(c(-c5ccccc5NS(C)(=O)=O)nnc24)-c2ccccc2C3=O)cc1.CO/C=N\c1cc(OC)c(OC)cc1-c1nnc2c3c(c(Nc4ccccn4)cc(Oc4ccc(C(C)(C)CC(C)(C)C)cc4)c13)C(=O)c1ccccc1-2.COc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nnc(-c4ccc(Nc5ccccc5)cc4O)c4c3c2C(=O)c2ccccc2-4)cc1.Cc1cccc(Oc2cccc3c2C(=O)c2ccc(-c4ccccc4)c4nnc(-c5ccccc5O)c-3c24)c1
• InChI: InChI=1S/C48H44N4O4.C44H43N5O5.C39H34N4O4S.C34H22N2O3.C2H6/c1-47(2,3)28-48(4,5)29-16-21-34(22-17-29)56-40-27-38(50-31-18-23-33(55-6)24-19-31)42-43-41(35-14-10-11-15-36(35)46(42)54)44(51-52-45(40)43)37-25-20-32(26-39(37)53)49-30-12-8-7-9-13-30;1-43(2,3)24-44(4,5)26-16-18-27(19-17-26)54-35-23-32(47-36-15-11-12-20-45-36)37-39-38(35)41(49-48-40(39)28-13-9-10-14-29(28)42(37)50)30-21-33(52-7)34(53-8)22-31(30)46-25-51-6;1-5-39(2,3)24-19-21-26(22-20-24)47-32-23-31(40-25-13-7-6-8-14-25)34-35-33(27-15-9-10-16-28(27)38(34)44)36(41-42-37(32)35)29-17-11-12-18-30(29)43-48(4,45)46;1-20-9-7-12-22(19-20)39-28-16-8-14-25-29(28)34(38)26-18-17-23(21-10-3-2-4-11-21)32-31(26)30(25)33(36-35-32)24-13-5-6-15-27(24)37;1-2/h7-27,49-50,53H,28H2,1-6H3;9-23,25H,24H2,1-8H3,(H,45,47);6-23,40,43H,5H2,1-4H3;2-19,37H,1H3;1-2H3/b;46-25-
• InChIKey: VFHQPNRVYHMZDY-IPBOKJNWSA-N
• XLogP: 40.80
• TPSA: 405.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2654.18
LogP ≤ 5	40.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate?

The IUPAC name of 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate (CID 161282762) is 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate.

What is the SMILES notation for 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate?

The canonical SMILES for 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate is CC.CCC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(c(-c5ccccc5NS(C)(=O)=O)nnc24)-c2ccccc2C3=O)cc1.CO/C=N\c1cc(OC)c(OC)cc1-c1nnc2c3c(c(Nc4ccccn4)cc(Oc4ccc(C(C)(C)CC(C)(C)C)cc4)c13)C(=O)c1ccccc1-2.COc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nnc(-c4ccc(Nc5ccccc5)cc4O)c4c3c2C(=O)c2ccccc2-4)cc1.Cc1cccc(Oc2cccc3c2C(=O)c2ccc(-c4ccccc4)c4nnc(-c5ccccc5O)c-3c24)c1.

What is the InChIKey of 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate?

The InChIKey is VFHQPNRVYHMZDY-IPBOKJNWSA-N. The full InChI is InChI=1S/C48H44N4O4.C44H43N5O5.C39H34N4O4S.C34H22N2O3.C2H6/c1-47(2,3)28-48(4,5)29-16-21-34(22-17-29)56-40-27-38(50-31-18-23-33(55-6)24-19-31)42-43-41(35-14-10-11-15-36(35)46(42)54)44(51-52-45(40)43)37-25-20-32(26-39(37)53)49-30-12-8-7-9-13-30;1-43(2,3)24-44(4,5)26-16-18-27(19-17-26)54-35-23-32(47-36-15-11-12-20-45-36)37-39-38(35)41(49-48-40(39)28-13-9-10-14-29(28)42(37)50)30-21-33(52-7)34(53-8)22-31(30)46-25-51-6;1-5-39(2,3)24-19-21-26(22-20-24)47-32-23-31(40-25-13-7-6-8-14-25)34-35-33(27-15-9-10-16-28(27)38(34)44)36(41-42-37(32)35)29-17-11-12-18-30(29)43-48(4,45)46;1-20-9-7-12-22(19-20)39-28-16-8-14-25-29(28)34(38)26-18-17-23(21-10-3-2-4-11-21)32-31(26)30(25)33(36-35-32)24-13-5-6-15-27(24)37;1-2/h7-27,49-50,53H,28H2,1-6H3;9-23,25H,24H2,1-8H3,(H,45,47);6-23,40,43H,5H2,1-4H3;2-19,37H,1H3;1-2H3/b;46-25-;;;.

What are the key properties of 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate?

16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate has a molecular weight of 2654.18 g/mol, XLogP of 40.80, 34 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(4-anilino-2-hydroxyphenyl)-10-(4-methoxyanilino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;N-[2-[10-anilino-12-[4-(2-methylbutan-2-yl)phenoxy]-8-oxo-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-16-yl]phenyl]methanesulfonamide;ethane;16-(2-hydroxyphenyl)-6-(3-methylphenoxy)-12-phenyl-14,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;methyl N-[4,5-dimethoxy-2-[8-oxo-10-(pyridin-2-ylamino)-12-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-14-yl]phenyl]methanimidate is sourced from PubChem (CID 161282762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).