4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene

C155H234N8O12 — CID 160945296

About 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene

4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene (PubChem CID 160945296) has the molecular formula C155H234N8O12 and a molecular weight of 2401.62 g/mol. Its IUPAC name is 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene.

Molecular Properties

• Compound Name: 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene
• PubChem CID: 160945296
• Molecular Formula: C155H234N8O12
• Molecular Weight: 2401.62 g/mol
• Exact Mass: 2399.79
• IUPAC Name: 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene
• SMILES: C.C.CC(C)CCCC(C)C1CCC2C3CC(OCOc4ccc(N)cc4)C4CC(C(OO)c5ccc(N)cc5)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC(OCOc4cccc(N)c4)C4C(C)(C)C(C(OO)c5cccc(N)c5)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CCC4CC(c5ccccc5)(c5ccccc5)CCC4(C)C3CCC12C.CN.CN.COc1ccc(N)cc1.COc1ccc(N)cc1.c1ccc(OCCOc2ccccc2)cc1
• InChI: InChI=1S/C43H66N2O4.C41H62N2O4.C39H56.C14H14O2.2C7H9NO.2CH5N.2CH4/c1-27(2)11-8-12-28(3)34-17-18-35-33-25-38(48-26-47-32-16-10-15-31(45)24-32)40-41(4,5)37(39(49-46)29-13-9-14-30(44)23-29)20-22-43(40,7)36(33)19-21-42(34,35)6;1-26(2)7-6-8-27(3)34-17-18-35-33-24-38(46-25-45-32-15-13-31(43)14-16-32)37-23-29(39(47-44)28-9-11-30(42)12-10-28)19-21-41(37,5)36(33)20-22-40(34,35)4;1-28(2)13-12-14-29(3)34-21-22-35-33-20-19-32-27-39(30-15-8-6-9-16-30,31-17-10-7-11-18-31)26-25-37(32,4)36(33)23-24-38(34,35)5;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;2*1-9-7-4-2-6(8)3-5-7;2*1-2;;/h9-10,13-16,23-24,27-28,33-40,46H,8,11-12,17-22,25-26,44-45H2,1-7H3;9-16,26-27,29,33-39,44H,6-8,17-25,42-43H2,1-5H3;6-11,15-18,28-29,32-36H,12-14,19-27H2,1-5H3;1-10H,11-12H2;2*2-5H,8H2,1H3;2*2H2,1H3;2*1H4
• InChIKey: SVAMNEBHSLJEHL-UHFFFAOYSA-N
• XLogP: 38.15
• TPSA: 340.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 38
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.62
LogP ≤ 5	38.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene?

The IUPAC name of 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene (CID 160945296) is 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene.

What is the SMILES notation for 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene?

The canonical SMILES for 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene is C.C.CC(C)CCCC(C)C1CCC2C3CC(OCOc4ccc(N)cc4)C4CC(C(OO)c5ccc(N)cc5)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC(OCOc4cccc(N)c4)C4C(C)(C)C(C(OO)c5cccc(N)c5)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CCC4CC(c5ccccc5)(c5ccccc5)CCC4(C)C3CCC12C.CN.CN.COc1ccc(N)cc1.COc1ccc(N)cc1.c1ccc(OCCOc2ccccc2)cc1.

What is the InChIKey of 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene?

The InChIKey is SVAMNEBHSLJEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H66N2O4.C41H62N2O4.C39H56.C14H14O2.2C7H9NO.2CH5N.2CH4/c1-27(2)11-8-12-28(3)34-17-18-35-33-25-38(48-26-47-32-16-10-15-31(45)24-32)40-41(4,5)37(39(49-46)29-13-9-14-30(44)23-29)20-22-43(40,7)36(33)19-21-42(34,35)6;1-26(2)7-6-8-27(3)34-17-18-35-33-24-38(46-25-45-32-15-13-31(43)14-16-32)37-23-29(39(47-44)28-9-11-30(42)12-10-28)19-21-41(37,5)36(33)20-22-40(34,35)4;1-28(2)13-12-14-29(3)34-21-22-35-33-20-19-32-27-39(30-15-8-6-9-16-30,31-17-10-7-11-18-31)26-25-37(32,4)36(33)23-24-38(34,35)5;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;2*1-9-7-4-2-6(8)3-5-7;2*1-2;;/h9-10,13-16,23-24,27-28,33-40,46H,8,11-12,17-22,25-26,44-45H2,1-7H3;9-16,26-27,29,33-39,44H,6-8,17-25,42-43H2,1-5H3;6-11,15-18,28-29,32-36H,12-14,19-27H2,1-5H3;1-10H,11-12H2;2*2-5H,8H2,1H3;2*2H2,1H3;2*1H4.

What are the key properties of 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene?

4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene has a molecular weight of 2401.62 g/mol, XLogP of 38.15, 38 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[(4-aminophenoxy)methoxy]-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]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene is sourced from PubChem (CID 160945296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).