3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline

C49H34N2 — CID 142335647

About 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline

3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline (PubChem CID 142335647) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline.

Molecular Properties

• Compound Name: 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline
• PubChem CID: 142335647
• Molecular Formula: C49H34N2
• Molecular Weight: 650.83 g/mol
• Exact Mass: 650.27
• IUPAC Name: 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline
• SMILES: Cc1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5cc(-c6ccc(-c7cnc8ccccc8c7)nc6)ccc35)=CCCC=4)ccc2c1
• InChI: InChI=1S/C49H34N2/c1-31-14-15-35-26-38(19-17-34(35)24-31)48-42-11-5-6-12-43(42)49(39-18-16-32-8-2-3-9-33(32)25-39)45-28-36(20-22-44(45)48)40-21-23-47(50-29-40)41-27-37-10-4-7-13-46(37)51-30-41/h2-4,7-30H,5-6H2,1H3
• InChIKey: BKOUYEVEJSLMER-UHFFFAOYSA-N
• XLogP: 11.42
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.83
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline?

The IUPAC name of 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline (CID 142335647) is 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline.

What is the SMILES notation for 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline?

The canonical SMILES for 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline is Cc1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5cc(-c6ccc(-c7cnc8ccccc8c7)nc6)ccc35)=CCCC=4)ccc2c1.

What is the InChIKey of 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline?

The InChIKey is BKOUYEVEJSLMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-31-14-15-35-26-38(19-17-34(35)24-31)48-42-11-5-6-12-43(42)49(39-18-16-32-8-2-3-9-33(32)25-39)45-28-36(20-22-44(45)48)40-21-23-47(50-29-40)41-27-37-10-4-7-13-46(37)51-30-41/h2-4,7-30H,5-6H2,1H3.

What are the key properties of 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline?

3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline has a molecular weight of 650.83 g/mol, XLogP of 11.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 142335647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).