hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium

C32H23N3OP+ — CID 130393760

About hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium

hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium (PubChem CID 130393760) has the molecular formula C32H23N3OP+ and a molecular weight of 496.53 g/mol. Its IUPAC name is hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium.

Molecular Properties

• Compound Name: hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium
• PubChem CID: 130393760
• Molecular Formula: C32H23N3OP+
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.16
• IUPAC Name: hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium
• SMILES: O[P+](c1ccccc1)(c1ccccc1)c1cccc(-c2nc3c(nc4ccccn43)c3ccccc23)c1
• InChI: InChI=1S/C32H23N3OP/c36-37(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)30-27-18-7-8-19-28(27)31-32(34-30)35-21-10-9-20-29(35)33-31/h1-22,36H/q+1
• InChIKey: ZXBHXBVTWSADEJ-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 50.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
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 hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium?

The IUPAC name of hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium (CID 130393760) is hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium.

What is the SMILES notation for hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium?

The canonical SMILES for hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium is O[P+](c1ccccc1)(c1ccccc1)c1cccc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.

What is the InChIKey of hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium?

The InChIKey is ZXBHXBVTWSADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3OP/c36-37(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)30-27-18-7-8-19-28(27)31-32(34-30)35-21-10-9-20-29(35)33-31/h1-22,36H/q+1.

What are the key properties of hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium?

hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium has a molecular weight of 496.53 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxy-diphenyl-[3-(9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-yl)phenyl]phosphanium is sourced from PubChem (CID 130393760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).