2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine

C47H29NO — CID 146859596

About 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine

2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (PubChem CID 146859596) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

Molecular Properties

• Compound Name: 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
• PubChem CID: 146859596
• Molecular Formula: C47H29NO
• Molecular Weight: 623.76 g/mol
• Exact Mass: 623.22
• IUPAC Name: 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)nc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C47H29NO/c1-2-10-30(11-3-1)31-18-20-33(21-19-31)45-37-14-6-8-16-39(37)46(40-17-9-7-15-38(40)45)35-23-26-43(48-29-35)34-24-27-44-42(28-34)41-25-22-32-12-4-5-13-36(32)47(41)49-44/h1-29H
• InChIKey: SKHHHXIMTRRNAI-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.76
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?

The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (CID 146859596) is 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?

The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)nc4)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?

The InChIKey is SKHHHXIMTRRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-10-30(11-3-1)31-18-20-33(21-19-31)45-37-14-6-8-16-39(37)46(40-17-9-7-15-38(40)45)35-23-26-43(48-29-35)34-24-27-44-42(28-34)41-25-22-32-12-4-5-13-36(32)47(41)49-44/h1-29H.

What are the key properties of 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?

2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine has a molecular weight of 623.76 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 146859596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).