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

C47H29NO — CID 149259214

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

5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (PubChem CID 149259214) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

Molecular Properties

• Compound Name: 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
• PubChem CID: 149259214
• Molecular Formula: C47H29NO
• Molecular Weight: 623.76 g/mol
• Exact Mass: 623.22
• IUPAC Name: 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cn4)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)42-25-22-35(29-48-42)34-24-26-43-41(28-34)47-36-13-5-4-12-32(36)23-27-44(47)49-43/h1-29H
• InChIKey: XOXIBQOFQDCEHQ-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 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?

The IUPAC name of 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (CID 149259214) is 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

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

The canonical SMILES for 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cn4)c4ccccc34)cc2)cc1.

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

The InChIKey is XOXIBQOFQDCEHQ-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)42-25-22-35(29-48-42)34-24-26-43-41(28-34)47-36-13-5-4-12-32(36)23-27-44(47)49-43/h1-29H.

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

5-naphtho[2,1-b][1]benzofuran-10-yl-2-[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 5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 149259214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).