8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C51H32O — CID 135183547

About 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 135183547) has the molecular formula C51H32O and a molecular weight of 660.82 g/mol. Its IUPAC name is 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 135183547
• Molecular Formula: C51H32O
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.25
• IUPAC Name: 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: Cc1cccc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc45)c4ccccc34)cc12
• InChI: InChI=1S/C51H32O/c1-31-11-10-13-33-21-22-34(29-46(31)33)36-26-27-44(39-16-5-4-15-38(36)39)50-42-19-8-6-17-40(42)49(41-18-7-9-20-43(41)50)35-24-28-48-47(30-35)45-25-23-32-12-2-3-14-37(32)51(45)52-48/h2-30H,1H3
• InChIKey: ZHFXZERGJSYQOP-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	14.66
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 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 135183547) is 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is Cc1cccc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc45)c4ccccc34)cc12.

What is the InChIKey of 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is ZHFXZERGJSYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O/c1-31-11-10-13-33-21-22-34(29-46(31)33)36-26-27-44(39-16-5-4-15-38(36)39)50-42-19-8-6-17-40(42)49(41-18-7-9-20-43(41)50)35-24-28-48-47(30-35)45-25-23-32-12-2-3-14-37(32)51(45)52-48/h2-30H,1H3.

What are the key properties of 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 660.82 g/mol, XLogP of 14.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 135183547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).