1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

C46H42N2 — CID 59220156

About 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 59220156) has the molecular formula C46H42N2 and a molecular weight of 622.86 g/mol. Its IUPAC name is 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

Molecular Properties

• Compound Name: 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• PubChem CID: 59220156
• Molecular Formula: C46H42N2
• Molecular Weight: 622.86 g/mol
• Exact Mass: 622.33
• IUPAC Name: 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• SMILES: c1ccc(-c2cc3ccccc3cc2-c2c3ccc(N4CCCCC4)cc3c(-c3ccccc3)c3ccc(N4CCCCC4)cc23)cc1
• InChI: InChI=1S/C46H42N2/c1-5-15-33(16-6-1)41-29-35-19-9-10-20-36(35)30-42(41)46-40-24-22-37(47-25-11-3-12-26-47)31-43(40)45(34-17-7-2-8-18-34)39-23-21-38(32-44(39)46)48-27-13-4-14-28-48/h1-2,5-10,15-24,29-32H,3-4,11-14,25-28H2
• InChIKey: ODYMSXMDNRSIIX-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.86
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The IUPAC name of 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (CID 59220156) is 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

What is the SMILES notation for 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The canonical SMILES for 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is c1ccc(-c2cc3ccccc3cc2-c2c3ccc(N4CCCCC4)cc3c(-c3ccccc3)c3ccc(N4CCCCC4)cc23)cc1.

What is the InChIKey of 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The InChIKey is ODYMSXMDNRSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N2/c1-5-15-33(16-6-1)41-29-35-19-9-10-20-36(35)30-42(41)46-40-24-22-37(47-25-11-3-12-26-47)31-43(40)45(34-17-7-2-8-18-34)39-23-21-38(32-44(39)46)48-27-13-4-14-28-48/h1-2,5-10,15-24,29-32H,3-4,11-14,25-28H2.

What are the key properties of 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine has a molecular weight of 622.86 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is sourced from PubChem (CID 59220156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).