1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine

C46H44N2 — CID 89111153

About 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine

1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 89111153) has the molecular formula C46H44N2 and a molecular weight of 624.87 g/mol. Its IUPAC name is 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

Molecular Properties

• Compound Name: 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• PubChem CID: 89111153
• Molecular Formula: C46H44N2
• Molecular Weight: 624.87 g/mol
• Exact Mass: 624.35
• IUPAC Name: 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• SMILES: C1=Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N5CCCCC5)cc34)cc2CC1
• InChI: InChI=1S/C46H44N2/c1-4-12-33(13-5-1)35-16-19-36(20-17-35)45-41-24-22-40(48-28-10-3-11-29-48)32-44(41)46(38-21-18-34-14-6-7-15-37(34)30-38)42-25-23-39(31-43(42)45)47-26-8-2-9-27-47/h1,4-6,12-14,16-25,30-32H,2-3,7-11,15,26-29H2
• InChIKey: UVEGKWXVRWOSAI-UHFFFAOYSA-N
• XLogP: 11.93
• 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	624.87
LogP ≤ 5	11.93
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-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The IUPAC name of 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine (CID 89111153) is 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

What is the SMILES notation for 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The canonical SMILES for 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine is C1=Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N5CCCCC5)cc34)cc2CC1.

What is the InChIKey of 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The InChIKey is UVEGKWXVRWOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2/c1-4-12-33(13-5-1)35-16-19-36(20-17-35)45-41-24-22-40(48-28-10-3-11-29-48)32-44(41)46(38-21-18-34-14-6-7-15-37(34)30-38)42-25-23-39(31-43(42)45)47-26-8-2-9-27-47/h1,4-6,12-14,16-25,30-32H,2-3,7-11,15,26-29H2.

What are the key properties of 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine has a molecular weight of 624.87 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine is sourced from PubChem (CID 89111153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).