4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C140H86O3 — CID 163848435

About 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 163848435) has the molecular formula C140H86O3 and a molecular weight of 1816.23 g/mol. Its IUPAC name is 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 163848435
• Molecular Formula: C140H86O3
• Molecular Weight: 1816.23 g/mol
• Exact Mass: 1814.66
• IUPAC Name: 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4cc(-c5ccc6ccccc6c5)ccc34)c3ccccc23)cc1.c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C52H32O.C46H28O.C42H26O/c1-2-14-34(15-3-1)38-29-30-44(40-18-7-6-17-39(38)40)50-42-20-8-9-21-43(42)51(47-23-12-22-46-41-19-10-11-24-49(41)53-52(46)47)48-32-37(27-28-45(48)50)36-26-25-33-13-4-5-16-35(33)31-36;1-2-13-29(14-3-1)30-25-26-38-42(27-30)45(40-23-12-22-39-35-19-10-11-24-43(35)47-46(39)40)37-21-9-8-20-36(37)44(38)41-28-31-15-4-5-16-32(31)33-17-6-7-18-34(33)41;1-2-14-27(15-3-1)29-17-6-7-20-32(29)39-33-21-8-10-23-35(33)40(36-24-11-9-22-34(36)39)41-30-18-5-4-16-28(30)26-37-31-19-12-13-25-38(31)43-42(37)41/h1-32H;1-28H;1-26H
• InChIKey: OSFQFSYCKQIRND-UHFFFAOYSA-N
• XLogP: 40.11
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1816.23
LogP ≤ 5	40.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 163848435) is 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4cc(-c5ccc6ccccc6c5)ccc34)c3ccccc23)cc1.c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)cc1.

What is the InChIKey of 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is OSFQFSYCKQIRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O.C46H28O.C42H26O/c1-2-14-34(15-3-1)38-29-30-44(40-18-7-6-17-39(38)40)50-42-20-8-9-21-43(42)51(47-23-12-22-46-41-19-10-11-24-49(41)53-52(46)47)48-32-37(27-28-45(48)50)36-26-25-33-13-4-5-16-35(33)31-36;1-2-13-29(14-3-1)30-25-26-38-42(27-30)45(40-23-12-22-39-35-19-10-11-24-43(35)47-46(39)40)37-21-9-8-20-36(37)44(38)41-28-31-15-4-5-16-32(31)33-17-6-7-18-34(33)41;1-2-14-27(15-3-1)29-17-6-7-20-32(29)39-33-21-8-10-23-35(33)40(36-24-11-9-22-34(36)39)41-30-18-5-4-16-28(30)26-37-31-19-12-13-25-38(31)43-42(37)41/h1-32H;1-28H;1-26H.

What are the key properties of 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1816.23 g/mol, XLogP of 40.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163848435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).