9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine

C52H35N — CID 59195530

About 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine

9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine (PubChem CID 59195530) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine.

Molecular Properties

• Compound Name: 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine
• PubChem CID: 59195530
• Molecular Formula: C52H35N
• Molecular Weight: 673.86 g/mol
• Exact Mass: 673.28
• IUPAC Name: 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C52H35N/c1-52(2)45-20-10-7-15-37(45)38-27-26-36(31-46(38)52)49-39-16-5-6-17-40(39)50(51-42-18-8-11-21-47(42)53-48-22-12-9-19-43(48)51)41-28-25-35(30-44(41)49)34-24-23-32-13-3-4-14-33(32)29-34/h3-31H,1-2H3
• InChIKey: SAVKJWWOFBPLRZ-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.86
LogP ≤ 5	14.15
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 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine?

The IUPAC name of 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine (CID 59195530) is 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine.

What is the SMILES notation for 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine?

The canonical SMILES for 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine?

The InChIKey is SAVKJWWOFBPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-52(2)45-20-10-7-15-37(45)38-27-26-36(31-46(38)52)49-39-16-5-6-17-40(39)50(51-42-18-8-11-21-47(42)53-48-22-12-9-19-43(48)51)41-28-25-35(30-44(41)49)34-24-23-32-13-3-4-14-33(32)29-34/h3-31H,1-2H3.

What are the key properties of 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine?

9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine has a molecular weight of 673.86 g/mol, XLogP of 14.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine is sourced from PubChem (CID 59195530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).