benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium

C22H17N3OP+ — CID 159538962

About benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium

benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium (PubChem CID 159538962) has the molecular formula C22H17N3OP+ and a molecular weight of 370.37 g/mol. Its IUPAC name is benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium.

Molecular Properties

• Compound Name: benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium
• PubChem CID: 159538962
• Molecular Formula: C22H17N3OP+
• Molecular Weight: 370.37 g/mol
• Exact Mass: 370.11
• IUPAC Name: benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium
• SMILES: O=[P+](Cc1ccccc1)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1
• InChI: InChI=1S/C22H17N3OP/c26-27(14-15-4-2-1-3-5-15)21-11-17-10-18-13-24-22(16-6-8-23-9-7-16)19(18)12-20(17)25-21/h1-10,12H,11,13-14H2/q+1
• InChIKey: HXYITNVDWYMNJX-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 54.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.37
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium?

The IUPAC name of benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium (CID 159538962) is benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium.

What is the SMILES notation for benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium?

The canonical SMILES for benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium is O=[P+](Cc1ccccc1)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1.

What is the InChIKey of benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium?

The InChIKey is HXYITNVDWYMNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OP/c26-27(14-15-4-2-1-3-5-15)21-11-17-10-18-13-24-22(16-6-8-23-9-7-16)19(18)12-20(17)25-21/h1-10,12H,11,13-14H2/q+1.

What are the key properties of benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium?

benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium has a molecular weight of 370.37 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium is sourced from PubChem (CID 159538962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).