9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene

C55H38 — CID 59195223

About 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 59195223) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 59195223
• Molecular Formula: C55H38
• Molecular Weight: 698.91 g/mol
• Exact Mass: 698.30
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C55H38/c1-55(2)51-23-13-12-20-44(51)45-28-27-40(34-52(45)55)53-46-21-10-11-22-47(46)54(48-31-30-41(36-15-4-3-5-16-36)42-18-8-9-19-43(42)48)49-29-26-39(33-50(49)53)38-25-24-35-14-6-7-17-37(35)32-38/h3-34H,1-2H3
• InChIKey: SCLAHVWTIYLSOU-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.91
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 59195223) is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene?

The InChIKey is SCLAHVWTIYLSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)51-23-13-12-20-44(51)45-28-27-40(34-52(45)55)53-46-21-10-11-22-47(46)54(48-31-30-41(36-15-4-3-5-16-36)42-18-8-9-19-43(42)48)49-29-26-39(33-50(49)53)38-25-24-35-14-6-7-17-37(35)32-38/h3-34H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene?

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 59195223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).