10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran

C51H34O — CID 122426066

About 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran

10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 122426066) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 122426066
• Molecular Formula: C51H34O
• Molecular Weight: 662.83 g/mol
• Exact Mass: 662.26
• IUPAC Name: 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
• SMILES: CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-c3cccc4c3oc3c5ccccc5ccc43)cc21
• InChI: InChI=1S/C51H34O/c1-51(2)45-29-33(36-21-12-22-43-44-28-23-31-13-6-7-16-35(31)49(44)52-50(36)43)24-26-37(45)38-27-25-34(30-46(38)51)48-41-19-10-8-17-39(41)47(32-14-4-3-5-15-32)40-18-9-11-20-42(40)48/h3-30H,1-2H3
• InChIKey: LLZSATYPUISLCH-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 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran (CID 122426066) is 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-c3cccc4c3oc3c5ccccc5ccc43)cc21.

What is the InChIKey of 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran?

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

What are the key properties of 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran?

10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-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 10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 122426066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).