5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran

C110H68O3 — CID 160537102

About 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran

5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 160537102) has the molecular formula C110H68O3 and a molecular weight of 1437.75 g/mol. Its IUPAC name is 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

• Compound Name: 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
• PubChem CID: 160537102
• Molecular Formula: C110H68O3
• Molecular Weight: 1437.75 g/mol
• Exact Mass: 1436.52
• IUPAC Name: 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6ccccc56)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C46H28O.2C32H20O/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)44-36-15-4-6-17-38(36)45(39-18-7-5-16-37(39)44)41-28-42-35-14-9-10-20-43(35)47-46(42)40-19-8-3-13-34(40)41;1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)26-17-8-9-19-28(26)33-29;1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-28H;2*1-20H
• InChIKey: QWHKRKWGWHFWNP-UHFFFAOYSA-N
• XLogP: 31.65
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1437.75
LogP ≤ 5	31.65
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 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran?

The IUPAC name of 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran (CID 160537102) is 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran.

What is the SMILES notation for 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran?

The canonical SMILES for 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6ccccc56)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran?

The InChIKey is QWHKRKWGWHFWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O.2C32H20O/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)44-36-15-4-6-17-38(36)45(39-18-7-5-16-37(39)44)41-28-42-35-14-9-10-20-43(35)47-46(42)40-19-8-3-13-34(40)41;1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)26-17-8-9-19-28(26)33-29;1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-28H;2*1-20H.

What are the key properties of 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran?

5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 1437.75 g/mol, XLogP of 31.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 160537102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).