14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium

C30H23OP2+ — CID 123928246

About 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium

14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium (PubChem CID 123928246) has the molecular formula C30H23OP2+ and a molecular weight of 461.46 g/mol. Its IUPAC name is 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium.

Molecular Properties

• Compound Name: 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium
• PubChem CID: 123928246
• Molecular Formula: C30H23OP2+
• Molecular Weight: 461.46 g/mol
• Exact Mass: 461.12
• IUPAC Name: 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium
• SMILES: P[P+](c1ccccc1)(c1ccccc1)c1ccc2c(c1)-c1ccccc1-c1ccccc1O2
• InChI: InChI=1S/C30H23OP2/c32-33(22-11-3-1-4-12-22,23-13-5-2-6-14-23)24-19-20-30-28(21-24)26-16-8-7-15-25(26)27-17-9-10-18-29(27)31-30/h1-21H,32H2/q+1
• InChIKey: PPUGFZWWBOKYQE-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.46
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium?

The IUPAC name of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium (CID 123928246) is 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium.

What is the SMILES notation for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium?

The canonical SMILES for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium is P[P+](c1ccccc1)(c1ccccc1)c1ccc2c(c1)-c1ccccc1-c1ccccc1O2.

What is the InChIKey of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium?

The InChIKey is PPUGFZWWBOKYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23OP2/c32-33(22-11-3-1-4-12-22,23-13-5-2-6-14-23)24-19-20-30-28(21-24)26-16-8-7-15-25(26)27-17-9-10-18-29(27)31-30/h1-21H,32H2/q+1.

What are the key properties of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium?

14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium has a molecular weight of 461.46 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl-diphenyl-phosphanylphosphanium is sourced from PubChem (CID 123928246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).