5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

C47H31N2OP — CID 121310284

About 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 121310284) has the molecular formula C47H31N2OP and a molecular weight of 670.75 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
• PubChem CID: 121310284
• Molecular Formula: C47H31N2OP
• Molecular Weight: 670.75 g/mol
• Exact Mass: 670.22
• IUPAC Name: 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C47H31N2OP/c50-51(37-18-8-3-9-19-37)46-23-13-11-21-39(46)41-30-45-40(31-47(41)51)38-20-10-12-22-44(38)49(45)36-26-24-34(25-27-36)43-29-35(32-14-4-1-5-15-32)28-42(48-43)33-16-6-2-7-17-33/h1-31H
• InChIKey: BIIISMDDAROJDP-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.75
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (CID 121310284) is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

What is the SMILES notation for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The canonical SMILES for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

The InChIKey is BIIISMDDAROJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N2OP/c50-51(37-18-8-3-9-19-37)46-23-13-11-21-39(46)41-30-45-40(31-47(41)51)38-20-10-12-22-44(38)49(45)36-26-24-34(25-27-36)43-29-35(32-14-4-1-5-15-32)28-42(48-43)33-16-6-2-7-17-33/h1-31H.

What are the key properties of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 670.75 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 121310284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).