6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran

C52H32O — CID 88568966

About 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran

6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 88568966) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 88568966
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7cc7c6oc6ccccc67)cc5)cc4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C52H32O/c1-2-12-38-31-40(30-25-33(38)11-1)50-45-18-7-5-16-43(45)49(44-17-6-8-19-46(44)50)36-26-21-34(22-27-36)35-23-28-37(29-24-35)51-41-14-4-3-13-39(41)32-47-42-15-9-10-20-48(42)53-52(47)51/h1-32H
• InChIKey: MPDIOTVWAJNWKJ-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	14.87
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 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran (CID 88568966) is 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7cc7c6oc6ccccc67)cc5)cc4)c4ccccc34)ccc2c1.

What is the InChIKey of 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran?

The InChIKey is MPDIOTVWAJNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-2-12-38-31-40(30-25-33(38)11-1)50-45-18-7-5-16-43(45)49(44-17-6-8-19-46(44)50)36-26-21-34(22-27-36)35-23-28-37(29-24-35)51-41-14-4-3-13-39(41)32-47-42-15-9-10-20-48(42)53-52(47)51/h1-32H.

What are the key properties of 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran?

6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 88568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).