5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

C49H34NOP — CID 121310256

About 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 121310256) has the molecular formula C49H34NOP and a molecular weight of 683.79 g/mol. Its IUPAC name is 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

• Compound Name: 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
• PubChem CID: 121310256
• Molecular Formula: C49H34NOP
• Molecular Weight: 683.79 g/mol
• Exact Mass: 683.24
• IUPAC Name: 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5P7(=O)c5ccccc5)ccc4c3)cc21
• InChI: InChI=1S/C49H34NOP/c1-49(2)43-17-9-6-14-37(43)38-25-23-34(28-44(38)49)31-20-21-33-27-35(24-22-32(33)26-31)50-45-18-10-7-15-39(45)41-30-48-42(29-46(41)50)40-16-8-11-19-47(40)52(48,51)36-12-4-3-5-13-36/h3-30H,1-2H3
• InChIKey: DTFPRLBZUHXVBV-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.79
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The IUPAC name of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (CID 121310256) is 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

What is the SMILES notation for 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The canonical SMILES for 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5P7(=O)c5ccccc5)ccc4c3)cc21.

What is the InChIKey of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The InChIKey is DTFPRLBZUHXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34NOP/c1-49(2)43-17-9-6-14-37(43)38-25-23-34(28-44(38)49)31-20-21-33-27-35(24-22-32(33)26-31)50-45-18-10-7-15-39(45)41-30-48-42(29-46(41)50)40-16-8-11-19-47(40)52(48,51)36-12-4-3-5-13-36/h3-30H,1-2H3.

What are the key properties of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 683.79 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 121310256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).