6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C37H24O — CID 176590347

About 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 176590347) has the molecular formula C37H24O and a molecular weight of 484.60 g/mol. Its IUPAC name is 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• PubChem CID: 176590347
• Molecular Formula: C37H24O
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.18
• IUPAC Name: 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• SMILES: Cc1cccc(-c2c3ccccc3c(-c3cccc4c3Oc3cccc5cccc-4c35)c3ccccc23)c1
• InChI: InChI=1S/C37H24O/c1-23-10-6-13-25(22-23)34-26-14-2-4-16-28(26)36(29-17-5-3-15-27(29)34)32-20-9-19-31-30-18-7-11-24-12-8-21-33(35(24)30)38-37(31)32/h2-22H,1H3
• InChIKey: NTPDEZOPDIIGAX-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	10.56
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 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The IUPAC name of 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 176590347) is 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

What is the SMILES notation for 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The canonical SMILES for 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is Cc1cccc(-c2c3ccccc3c(-c3cccc4c3Oc3cccc5cccc-4c35)c3ccccc23)c1.

What is the InChIKey of 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The InChIKey is NTPDEZOPDIIGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O/c1-23-10-6-13-25(22-23)34-26-14-2-4-16-28(26)36(29-17-5-3-15-27(29)34)32-20-9-19-31-30-18-7-11-24-12-8-21-33(35(24)30)38-37(31)32/h2-22H,1H3.

What are the key properties of 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 484.60 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 176590347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).