8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C51H34O — CID 90433286

About 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 90433286) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 90433286
• Molecular Formula: C51H34O
• Molecular Weight: 662.83 g/mol
• Exact Mass: 662.26
• IUPAC Name: 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc45)c3)cc21
• InChI: InChI=1S/C51H34O/c1-51(2)45-21-10-9-16-37(45)38-25-23-33(30-46(38)51)32-13-11-14-34(28-32)48-39-17-5-7-19-41(39)49(42-20-8-6-18-40(42)48)35-24-27-47-44(29-35)43-26-22-31-12-3-4-15-36(31)50(43)52-47/h3-30H,1-2H3
• InChIKey: HYRUZONCGNJJLT-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.83
LogP ≤ 5	14.35
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 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 90433286) is 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc45)c3)cc21.

What is the InChIKey of 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is HYRUZONCGNJJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)45-21-10-9-16-37(45)38-25-23-33(30-46(38)51)32-13-11-14-34(28-32)48-39-17-5-7-19-41(39)49(42-20-8-6-18-40(42)48)35-24-27-47-44(29-35)43-26-22-31-12-3-4-15-36(31)50(43)52-47/h3-30H,1-2H3.

What are the key properties of 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 662.83 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 90433286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).