N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine

C25H37I2N4O3P3 — CID 158810434

About N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine

N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine (PubChem CID 158810434) has the molecular formula C25H37I2N4O3P3 and a molecular weight of 788.33 g/mol. Its IUPAC name is N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine.

Molecular Properties

• Compound Name: N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine
• PubChem CID: 158810434
• Molecular Formula: C25H37I2N4O3P3
• Molecular Weight: 788.33 g/mol
• Exact Mass: 788.02
• IUPAC Name: N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine
• SMILES: CC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)N(P)PP)N1CCCNC1=O.II
• InChI: InChI=1S/C25H37N4O3P3.I2/c1-18(28-14-8-13-26-25(28)32)24(31)27-21(15-19-9-4-2-5-10-19)17-23(30)22(29(33)35-34)16-20-11-6-3-7-12-20;1-2/h2-7,9-12,18,21-23,30,35H,8,13-17,33-34H2,1H3,(H,26,32)(H,27,31)
• InChIKey: IUPOZUZHGHNEKL-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 84.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.33
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine?

The IUPAC name of N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine (CID 158810434) is N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine.

What is the SMILES notation for N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine?

The canonical SMILES for N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine is CC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)N(P)PP)N1CCCNC1=O.II.

What is the InChIKey of N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine?

The InChIKey is IUPOZUZHGHNEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N4O3P3.I2/c1-18(28-14-8-13-26-25(28)32)24(31)27-21(15-19-9-4-2-5-10-19)17-23(30)22(29(33)35-34)16-20-11-6-3-7-12-20;1-2/h2-7,9-12,18,21-23,30,35H,8,13-17,33-34H2,1H3,(H,26,32)(H,27,31);.

What are the key properties of N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine?

N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine has a molecular weight of 788.33 g/mol, XLogP of 5.13, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine is sourced from PubChem (CID 158810434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).