5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

C52H32NOP — CID 121310337

About 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 121310337) has the molecular formula C52H32NOP and a molecular weight of 717.81 g/mol. Its IUPAC name is 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

• Compound Name: 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
• PubChem CID: 121310337
• Molecular Formula: C52H32NOP
• Molecular Weight: 717.81 g/mol
• Exact Mass: 717.22
• IUPAC Name: 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13
• InChI: InChI=1S/C52H32NOP/c54-55(36-22-8-3-9-23-36)47-29-13-11-25-38(47)43-31-45-42(32-48(43)55)37-24-10-12-28-44(37)53(45)46-30-41(33-16-4-1-5-17-33)51-39-26-14-20-34-21-15-27-40(49(34)39)52(51)50(46)35-18-6-2-7-19-35/h1-32H
• InChIKey: QVHHMNGTQULRSH-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.81
LogP ≤ 5	12.54
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-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The IUPAC name of 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (CID 121310337) is 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

What is the SMILES notation for 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The canonical SMILES for 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13.

What is the InChIKey of 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The InChIKey is QVHHMNGTQULRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32NOP/c54-55(36-22-8-3-9-23-36)47-29-13-11-25-38(47)43-31-45-42(32-48(43)55)37-24-10-12-28-44(37)53(45)46-30-41(33-16-4-1-5-17-33)51-39-26-14-20-34-21-15-27-40(49(34)39)52(51)50(46)35-18-6-2-7-19-35/h1-32H.

What are the key properties of 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 717.81 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7,10-diphenylfluoranthen-8-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 121310337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).