5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran

C50H30O — CID 134487561

About 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran

5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 134487561) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
• PubChem CID: 134487561
• Molecular Formula: C50H30O
• Molecular Weight: 646.79 g/mol
• Exact Mass: 646.23
• IUPAC Name: 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6cc(-c7ccc8ccccc8c7)c7ccccc7c6c5c4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C50H30O/c1-3-13-33-27-35(23-21-31(33)11-1)44-30-47-50(39-16-6-5-15-38(39)44)45-29-37(25-26-46(45)51-47)49-42-19-9-7-17-40(42)48(41-18-8-10-20-43(41)49)36-24-22-32-12-2-4-14-34(32)28-36/h1-30H
• InChIKey: MCKYXTNKGIAIQH-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.79
LogP ≤ 5	14.35
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 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?

The IUPAC name of 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (CID 134487561) is 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6cc(-c7ccc8ccccc8c7)c7ccccc7c6c5c4)c4ccccc34)ccc2c1.

What is the InChIKey of 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?

The InChIKey is MCKYXTNKGIAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-3-13-33-27-35(23-21-31(33)11-1)44-30-47-50(39-16-6-5-15-38(39)44)45-29-37(25-26-46(45)51-47)49-42-19-9-7-17-40(42)48(41-18-8-10-20-43(41)49)36-24-22-32-12-2-4-14-34(32)28-36/h1-30H.

What are the key properties of 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?

5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 134487561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).