10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C45H47NO4 — CID 126074297

About 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126074297) has the molecular formula C45H47NO4 and a molecular weight of 665.87 g/mol. Its IUPAC name is 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

• Compound Name: 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
• PubChem CID: 126074297
• Molecular Formula: C45H47NO4
• Molecular Weight: 665.87 g/mol
• Exact Mass: 665.35
• IUPAC Name: 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
• SMILES: C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1cccc2ccccc12
• InChI: InChI=1S/C45H47NO4/c1-7-14-31-21-33(22-39(49-6)43(31)50-28-32-19-13-18-30-17-11-12-20-34(30)32)40-41-35(23-44(2,3)25-37(41)47)46(27-29-15-9-8-10-16-29)36-24-45(4,5)26-38(48)42(36)40/h7-13,15-22,40H,1,14,23-28H2,2-6H3
• InChIKey: RKBFBIDNDLNBFA-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 55.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.87
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The IUPAC name of 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 126074297) is 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

What is the SMILES notation for 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The canonical SMILES for 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1cccc2ccccc12.

What is the InChIKey of 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The InChIKey is RKBFBIDNDLNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47NO4/c1-7-14-31-21-33(22-39(49-6)43(31)50-28-32-19-13-18-30-17-11-12-20-34(30)32)40-41-35(23-44(2,3)25-37(41)47)46(27-29-15-9-8-10-16-29)36-24-45(4,5)26-38(48)42(36)40/h7-13,15-22,40H,1,14,23-28H2,2-6H3.

What are the key properties of 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 665.87 g/mol, XLogP of 10.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-benzyl-9-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126074297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).