1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine

C50H42N2 — CID 59219893

About 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine

1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine (PubChem CID 59219893) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine.

Molecular Properties

• Compound Name: 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine
• PubChem CID: 59219893
• Molecular Formula: C50H42N2
• Molecular Weight: 670.90 g/mol
• Exact Mass: 670.33
• IUPAC Name: 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine
• SMILES: c1ccc2c(c1)-c1cccc3c(-c4c5ccc(N6CCCCC6)cc5c(-c5ccc6ccccc6c5)c5ccc(N6CCCCC6)cc45)ccc-2c13
• InChI: InChI=1S/C50H42N2/c1-7-26-51(27-8-1)36-21-23-45-46(31-36)48(35-19-18-33-12-3-4-13-34(33)30-35)44-22-20-37(52-28-9-2-10-29-52)32-47(44)50(45)43-25-24-42-39-15-6-5-14-38(39)40-16-11-17-41(43)49(40)42/h3-6,11-25,30-32H,1-2,7-10,26-29H2
• InChIKey: TYAKMFXVQRZLKK-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.90
LogP ≤ 5	13.26
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-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine?

The IUPAC name of 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine (CID 59219893) is 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine.

What is the SMILES notation for 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine?

The canonical SMILES for 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine is c1ccc2c(c1)-c1cccc3c(-c4c5ccc(N6CCCCC6)cc5c(-c5ccc6ccccc6c5)c5ccc(N6CCCCC6)cc45)ccc-2c13.

What is the InChIKey of 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine?

The InChIKey is TYAKMFXVQRZLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-7-26-51(27-8-1)36-21-23-45-46(31-36)48(35-19-18-33-12-3-4-13-34(33)30-35)44-22-20-37(52-28-9-2-10-29-52)32-47(44)50(45)43-25-24-42-39-15-6-5-14-38(39)40-16-11-17-41(43)49(40)42/h3-6,11-25,30-32H,1-2,7-10,26-29H2.

What are the key properties of 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine?

1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine has a molecular weight of 670.90 g/mol, XLogP of 13.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine is sourced from PubChem (CID 59219893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).