9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene

C51H38 — CID 20821930

About 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene

9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene (PubChem CID 20821930) has the molecular formula C51H38 and a molecular weight of 650.87 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
• PubChem CID: 20821930
• Molecular Formula: C51H38
• Molecular Weight: 650.87 g/mol
• Exact Mass: 650.30
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
• SMILES: CCc1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C51H38/c1-4-32-25-27-33(28-26-32)47-37-16-5-9-20-41(37)49(42-21-10-6-17-38(42)47)50-43-22-11-7-18-39(43)48(40-19-8-12-23-44(40)50)34-29-30-36-35-15-13-14-24-45(35)51(2,3)46(36)31-34/h5-31H,4H2,1-3H3
• InChIKey: NRYYMZGRJPAVIE-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.87
LogP ≤ 5	14.17
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)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene (CID 20821930) is 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene is CCc1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene?

The InChIKey is NRYYMZGRJPAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38/c1-4-32-25-27-33(28-26-32)47-37-16-5-9-20-41(37)49(42-21-10-6-17-38(42)47)50-43-22-11-7-18-39(43)48(40-19-8-12-23-44(40)50)34-29-30-36-35-15-13-14-24-45(35)51(2,3)46(36)31-34/h5-31H,4H2,1-3H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene?

9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene has a molecular weight of 650.87 g/mol, XLogP of 14.17, 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)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 20821930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).