2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene

C64H46 — CID 59195515

About 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene (PubChem CID 59195515) has the molecular formula C64H46 and a molecular weight of 815.07 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
• PubChem CID: 59195515
• Molecular Formula: C64H46
• Molecular Weight: 815.07 g/mol
• Exact Mass: 814.36
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
• InChI: InChI=1S/C64H46/c1-63(2)58-27-14-12-23-49(58)55-37-44(30-33-59(55)63)62-52-25-10-9-24-51(52)61(43-18-15-17-41(34-43)54-36-42-16-5-6-19-45(42)46-20-7-8-21-47(46)54)53-32-29-39(35-56(53)62)40-28-31-50-48-22-11-13-26-57(48)64(3,4)60(50)38-40/h5-38H,1-4H3
• InChIKey: AVJVQRJPGVAAGV-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.07
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene (CID 59195515) is 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene.

What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene?

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene?

The InChIKey is AVJVQRJPGVAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46/c1-63(2)58-27-14-12-23-49(58)55-37-44(30-33-59(55)63)62-52-25-10-9-24-51(52)61(43-18-15-17-41(34-43)54-36-42-16-5-6-19-45(42)46-20-7-8-21-47(46)54)53-32-29-39(35-56(53)62)40-28-31-50-48-22-11-13-26-57(48)64(3,4)60(50)38-40/h5-38H,1-4H3.

What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene?

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene has a molecular weight of 815.07 g/mol, XLogP of 17.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 59195515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).