3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine

C86H54N2 — CID 160885929

About 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine

3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine (PubChem CID 160885929) has the molecular formula C86H54N2 and a molecular weight of 1115.39 g/mol. Its IUPAC name is 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine.

Molecular Properties

• Compound Name: 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine
• PubChem CID: 160885929
• Molecular Formula: C86H54N2
• Molecular Weight: 1115.39 g/mol
• Exact Mass: 1114.43
• IUPAC Name: 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c5ccc(-c6ccccn6)cc5c5ccccc5c4c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cnc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/2C43H27N/c1-2-12-29-25-31(22-21-28(29)11-1)42-36-16-6-8-18-38(36)43(39-19-9-7-17-37(39)42)40-24-23-33(34-14-4-5-15-35(34)40)32-26-30-13-3-10-20-41(30)44-27-32;1-2-12-28(13-3-1)42-35-16-6-8-18-37(35)43(38-19-9-7-17-36(38)42)30-22-24-34-33-23-21-29(41-20-10-11-25-44-41)26-39(33)31-14-4-5-15-32(31)40(34)27-30/h2*1-27H
• InChIKey: SNPZXPDQUVLWSQ-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.39
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine?

The IUPAC name of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine (CID 160885929) is 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine.

What is the SMILES notation for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine?

The canonical SMILES for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine is c1ccc(-c2c3ccccc3c(-c3ccc4c5ccc(-c6ccccn6)cc5c5ccccc5c4c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cnc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine?

The InChIKey is SNPZXPDQUVLWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H27N/c1-2-12-29-25-31(22-21-28(29)11-1)42-36-16-6-8-18-38(36)43(39-19-9-7-17-37(39)42)40-24-23-33(34-14-4-5-15-35(34)40)32-26-30-13-3-10-20-41(30)44-27-32;1-2-12-28(13-3-1)42-35-16-6-8-18-37(35)43(38-19-9-7-17-36(38)42)30-22-24-34-33-23-21-29(41-20-10-11-25-44-41)26-39(33)31-14-4-5-15-32(31)40(34)27-30/h2*1-27H.

What are the key properties of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine?

3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine has a molecular weight of 1115.39 g/mol, XLogP of 23.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine is sourced from PubChem (CID 160885929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).