(16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one

C63H103NO — CID 143644765

About (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one

(16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one (PubChem CID 143644765) has the molecular formula C63H103NO and a molecular weight of 890.52 g/mol. Its IUPAC name is (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one.

Molecular Properties

• Compound Name: (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one
• PubChem CID: 143644765
• Molecular Formula: C63H103NO
• Molecular Weight: 890.52 g/mol
• Exact Mass: 889.80
• IUPAC Name: (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one
• SMILES: C=C1C(C)CC(C)/C=C\C=C\C=C(/C)C(CC)CC2CCC(C)C(C)(C2)C(=C)C(=C)N2CCCCC2C(=C)CC(C(C)CC2CCC(C)C(CC)C2)CC(=O)C(C)/C=C(\C)C(C)C1CC
• InChI: InChI=1S/C63H103NO/c1-18-57-38-55(31-29-44(57)6)36-47(9)59-37-48(10)61-28-24-25-33-64(61)54(16)53(15)63(17)41-56(32-30-50(63)12)39-58(19-2)43(5)27-23-21-22-26-42(4)34-45(7)51(13)60(20-3)52(14)46(8)35-49(11)62(65)40-59/h21-23,26-27,35,42,44-45,47,49-50,52,55-61H,10,13,15-16,18-20,24-25,28-34,36-41H2,1-9,11-12,14,17H3/b23-21+,26-22-,43-27+,46-35+
• InChIKey: APHBSWDCIATMMH-DYVSDLAESA-N
• XLogP: 18.32
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.52
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one?

The IUPAC name of (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one (CID 143644765) is (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one.

What is the SMILES notation for (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one?

The canonical SMILES for (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one is C=C1C(C)CC(C)/C=C\C=C\C=C(/C)C(CC)CC2CCC(C)C(C)(C2)C(=C)C(=C)N2CCCCC2C(=C)CC(C(C)CC2CCC(C)C(CC)C2)CC(=O)C(C)/C=C(\C)C(C)C1CC.

What is the InChIKey of (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one?

The InChIKey is APHBSWDCIATMMH-DYVSDLAESA-N. The full InChI is InChI=1S/C63H103NO/c1-18-57-38-55(31-29-44(57)6)36-47(9)59-37-48(10)61-28-24-25-33-64(61)54(16)53(15)63(17)41-56(32-30-50(63)12)39-58(19-2)43(5)27-23-21-22-26-42(4)34-45(7)51(13)60(20-3)52(14)46(8)35-49(11)62(65)40-59/h21-23,26-27,35,42,44-45,47,49-50,52,55-61H,10,13,15-16,18-20,24-25,28-34,36-41H2,1-9,11-12,14,17H3/b23-21+,26-22-,43-27+,46-35+.

What are the key properties of (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one?

(16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one has a molecular weight of 890.52 g/mol, XLogP of 18.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (16E,24E,26E,28E)-19,30-diethyl-12-[1-(3-ethyl-4-methylcyclohexyl)propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-2,3,10,20-tetramethylidene-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-14-one is sourced from PubChem (CID 143644765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).