12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C40H24O — CID 165153847

About 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 165153847) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

• Compound Name: 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• PubChem CID: 165153847
• Molecular Formula: C40H24O
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.18
• IUPAC Name: 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• SMILES: c1ccc2c(c1)Oc1ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3cccc-2c13
• InChI: InChI=1S/C40H24O/c1-2-11-26-24-27(21-20-25(26)10-1)38-30-13-3-5-15-32(30)39(33-16-6-4-14-31(33)38)35-22-23-37-40-29(17-9-18-34(35)40)28-12-7-8-19-36(28)41-37/h1-24H
• InChIKey: XWSKDODYTDMTGN-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The IUPAC name of 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 165153847) is 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

What is the SMILES notation for 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The canonical SMILES for 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is c1ccc2c(c1)Oc1ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3cccc-2c13.

What is the InChIKey of 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The InChIKey is XWSKDODYTDMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-2-11-26-24-27(21-20-25(26)10-1)38-30-13-3-5-15-32(30)39(33-16-6-4-14-31(33)38)35-22-23-37-40-29(17-9-18-34(35)40)28-12-7-8-19-36(28)41-37/h1-24H.

What are the key properties of 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 520.63 g/mol, XLogP of 11.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 165153847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).