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

C150H92O3 — CID 163656453

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

6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 163656453) has the molecular formula C150H92O3 and a molecular weight of 1942.38 g/mol. Its IUPAC name is 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 163656453
• Molecular Formula: C150H92O3
• Molecular Weight: 1942.38 g/mol
• Exact Mass: 1940.70
• IUPAC Name: 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
• SMILES: c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2c3ccccc3cc3c2oc2ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5c4oc4ccccc45)c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5c4oc4ccccc45)c3)c3ccccc23)c1
• InChI: InChI=1S/2C52H32O.C46H28O/c1-3-21-39-33(14-1)16-13-28-40(39)34-17-11-18-36(30-34)49-43-24-5-7-26-45(43)50(46-27-8-6-25-44(46)49)37-19-12-20-38(31-37)51-41-22-4-2-15-35(41)32-47-42-23-9-10-29-48(42)53-52(47)51;1-2-14-34-29-36(28-27-33(34)13-1)35-16-11-17-38(30-35)49-43-22-5-7-24-45(43)50(46-25-8-6-23-44(46)49)39-18-12-19-40(31-39)51-41-20-4-3-15-37(41)32-47-42-21-9-10-26-48(42)53-52(47)51;1-3-18-33-29(13-1)15-12-25-36(33)45-39-23-7-5-21-37(39)43(38-22-6-8-24-40(38)45)31-16-11-17-32(27-31)44-34-19-4-2-14-30(34)28-41-35-20-9-10-26-42(35)47-46(41)44/h2*1-32H;1-28H
• InChIKey: IQPZYVFNKBXLGX-UHFFFAOYSA-N
• XLogP: 42.93
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1942.38
LogP ≤ 5	42.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran (CID 163656453) is 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran is c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2c3ccccc3cc3c2oc2ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5c4oc4ccccc45)c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5c4oc4ccccc45)c3)c3ccccc23)c1.

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

The InChIKey is IQPZYVFNKBXLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32O.C46H28O/c1-3-21-39-33(14-1)16-13-28-40(39)34-17-11-18-36(30-34)49-43-24-5-7-26-45(43)50(46-27-8-6-25-44(46)49)37-19-12-20-38(31-37)51-41-22-4-2-15-35(41)32-47-42-23-9-10-29-48(42)53-52(47)51;1-2-14-34-29-36(28-27-33(34)13-1)35-16-11-17-38(30-35)49-43-22-5-7-24-45(43)50(46-25-8-6-23-44(46)49)39-18-12-19-40(31-39)51-41-20-4-3-15-37(41)32-47-42-21-9-10-26-48(42)53-52(47)51;1-3-18-33-29(13-1)15-12-25-36(33)45-39-23-7-5-21-37(39)43(38-22-6-8-24-40(38)45)31-16-11-17-32(27-31)44-34-19-4-2-14-30(34)28-41-35-20-9-10-26-42(35)47-46(41)44/h2*1-32H;1-28H.

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

6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1942.38 g/mol, XLogP of 42.93, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163656453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).