2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one

C54H37NO — CID 134576392

About 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one

2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one (PubChem CID 134576392) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one.

Molecular Properties

• Compound Name: 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one
• PubChem CID: 134576392
• Molecular Formula: C54H37NO
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.29
• IUPAC Name: 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one
• SMILES: CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5c(=O)n6-c5ccccc5)ccc34)cccc21
• InChI: InChI=1S/C54H37NO/c1-54(2)47-26-14-13-24-43(47)52-44(25-15-27-48(52)54)51-40-22-11-10-21-39(40)50(34-16-5-3-6-17-34)46-33-35(28-30-41(46)51)36-29-31-49-45(32-36)38-20-9-12-23-42(38)53(56)55(49)37-18-7-4-8-19-37/h3-33H,1-2H3
• InChIKey: IAGQBICVLZDEAS-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one?

The IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one (CID 134576392) is 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one.

What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one?

The canonical SMILES for 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5c(=O)n6-c5ccccc5)ccc34)cccc21.

What is the InChIKey of 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one?

The InChIKey is IAGQBICVLZDEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-54(2)47-26-14-13-24-43(47)52-44(25-15-27-48(52)54)51-40-22-11-10-21-39(40)50(34-16-5-3-6-17-34)46-33-35(28-30-41(46)51)36-29-31-49-45(32-36)38-20-9-12-23-42(38)53(56)55(49)37-18-7-4-8-19-37/h3-33H,1-2H3.

What are the key properties of 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one?

2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one has a molecular weight of 715.90 g/mol, XLogP of 13.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one is sourced from PubChem (CID 134576392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).