8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran

C86H60BBrO4 — CID 158166084

About 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran

8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 158166084) has the molecular formula C86H60BBrO4 and a molecular weight of 1248.14 g/mol. Its IUPAC name is 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 158166084
• Molecular Formula: C86H60BBrO4
• Molecular Weight: 1248.14 g/mol
• Exact Mass: 1246.38
• IUPAC Name: 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
• SMILES: Brc1ccc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc1.CC.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C42H26O.C22H13BrO.C20H15BO2.C2H6/c1-2-11-29(12-3-1)40-33-14-6-8-16-35(33)41(36-17-9-7-15-34(36)40)30-20-18-27(19-21-30)31-23-25-39-38(26-31)37-24-22-28-10-4-5-13-32(28)42(37)43-39;23-17-9-5-14(6-10-17)16-8-12-21-20(13-16)19-11-7-15-3-1-2-4-18(15)22(19)24-21;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;1-2/h1-26H;1-13H;1-13,22-23H;1-2H3
• InChIKey: FWVYHXYAYNNGIL-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 66.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1248.14
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran (CID 158166084) is 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran is Brc1ccc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc1.CC.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)c3ccccc23)cc1.

What is the InChIKey of 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran?

The InChIKey is FWVYHXYAYNNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O.C22H13BrO.C20H15BO2.C2H6/c1-2-11-29(12-3-1)40-33-14-6-8-16-35(33)41(36-17-9-7-15-34(36)40)30-20-18-27(19-21-30)31-23-25-39-38(26-31)37-24-22-28-10-4-5-13-32(28)42(37)43-39;23-17-9-5-14(6-10-17)16-8-12-21-20(13-16)19-11-7-15-3-1-2-4-18(15)22(19)24-21;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;1-2/h1-26H;1-13H;1-13,22-23H;1-2H3.

What are the key properties of 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran?

8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 1248.14 g/mol, XLogP of 23.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 158166084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).