1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran

C48H28O2 — CID 170249918

About 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran

1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 170249918) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 170249918
• Molecular Formula: C48H28O2
• Molecular Weight: 636.75 g/mol
• Exact Mass: 636.21
• IUPAC Name: 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5oc6cc7ccccc7cc6c45)cc4oc5ccccc5c34)c3ccccc23)cc1
• InChI: InChI=1S/C48H28O2/c1-2-13-29(14-3-1)45-34-17-6-8-19-36(34)46(37-20-9-7-18-35(37)45)40-26-32(28-44-48(40)38-21-10-11-23-41(38)49-44)33-22-12-24-42-47(33)39-25-30-15-4-5-16-31(30)27-43(39)50-42/h1-28H
• InChIKey: KEXAGIWUXWZJDP-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.75
LogP ≤ 5	13.95
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 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran (CID 170249918) is 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5oc6cc7ccccc7cc6c45)cc4oc5ccccc5c34)c3ccccc23)cc1.

What is the InChIKey of 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is KEXAGIWUXWZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-13-29(14-3-1)45-34-17-6-8-19-36(34)46(37-20-9-7-18-35(37)45)40-26-32(28-44-48(40)38-21-10-11-23-41(38)49-44)33-22-12-24-42-47(33)39-25-30-15-4-5-16-31(30)27-43(39)50-42/h1-28H.

What are the key properties of 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?

1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 170249918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).