10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite

C36H44ClN2O4P — CID 142297871

About 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite

10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite (PubChem CID 142297871) has the molecular formula C36H44ClN2O4P and a molecular weight of 635.19 g/mol. Its IUPAC name is 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite.

Molecular Properties

• Compound Name: 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite
• PubChem CID: 142297871
• Molecular Formula: C36H44ClN2O4P
• Molecular Weight: 635.19 g/mol
• Exact Mass: 634.27
• IUPAC Name: 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite
• SMILES: CCN(CC)c1ccc2c(c1)P(=O)(c1ccccc1)c1cc(N(CC)CC)ccc1C2c1c(OC)cccc1OC.COCl
• InChI: InChI=1S/C35H41N2O3P.CH3ClO/c1-7-36(8-2)25-19-21-28-32(23-25)41(38,27-15-12-11-13-16-27)33-24-26(37(9-3)10-4)20-22-29(33)34(28)35-30(39-5)17-14-18-31(35)40-6;1-3-2/h11-24,34H,7-10H2,1-6H3;1H3
• InChIKey: MYUPOEDREUCRSQ-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 51.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.19
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite?

The IUPAC name of 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite (CID 142297871) is 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite.

What is the SMILES notation for 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite?

The canonical SMILES for 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite is CCN(CC)c1ccc2c(c1)P(=O)(c1ccccc1)c1cc(N(CC)CC)ccc1C2c1c(OC)cccc1OC.COCl.

What is the InChIKey of 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite?

The InChIKey is MYUPOEDREUCRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N2O3P.CH3ClO/c1-7-36(8-2)25-19-21-28-32(23-25)41(38,27-15-12-11-13-16-27)33-24-26(37(9-3)10-4)20-22-29(33)34(28)35-30(39-5)17-14-18-31(35)40-6;1-3-2/h11-24,34H,7-10H2,1-6H3;1H3.

What are the key properties of 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite?

10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite has a molecular weight of 635.19 g/mol, XLogP of 7.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite is sourced from PubChem (CID 142297871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).