5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C53H36NOP — CID 121310651

About 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310651) has the molecular formula C53H36NOP and a molecular weight of 733.85 g/mol. Its IUPAC name is 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

• Compound Name: 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
• PubChem CID: 121310651
• Molecular Formula: C53H36NOP
• Molecular Weight: 733.85 g/mol
• Exact Mass: 733.25
• IUPAC Name: 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)c4ccccc34)cc21
• InChI: InChI=1S/C53H36NOP/c1-53(2)44-25-13-10-18-35(44)36-29-28-33(32-45(36)53)49-38-20-6-8-22-40(38)51(41-23-9-7-21-39(41)49)54-46-26-14-11-24-43(46)50-47(54)31-30-42-37-19-12-15-27-48(37)56(55,52(42)50)34-16-4-3-5-17-34/h3-32H,1-2H3
• InChIKey: JNJYXROMTNGNSK-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.85
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?

The IUPAC name of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310651) is 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

What is the SMILES notation for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?

The canonical SMILES for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)c4ccccc34)cc21.

What is the InChIKey of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?

The InChIKey is JNJYXROMTNGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36NOP/c1-53(2)44-25-13-10-18-35(44)36-29-28-33(32-45(36)53)49-38-20-6-8-22-40(38)51(41-23-9-7-21-39(41)49)54-46-26-14-11-24-43(46)50-47(54)31-30-42-37-19-12-15-27-48(37)56(55,52(42)50)34-16-4-3-5-17-34/h3-32H,1-2H3.

What are the key properties of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?

5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 733.85 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).