O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine

C43H41N3O3 — CID 174243881

About O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine

O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine (PubChem CID 174243881) has the molecular formula C43H41N3O3 and a molecular weight of 647.82 g/mol. Its IUPAC name is O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine.

Molecular Properties

• Compound Name: O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine
• PubChem CID: 174243881
• Molecular Formula: C43H41N3O3
• Molecular Weight: 647.82 g/mol
• Exact Mass: 647.31
• IUPAC Name: O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine
• SMILES: Cc1ccc(-c2c(C)c(-c3ccc(ON)cc3)c(C)c(-c3c(C)c(-c4ccc(N=O)cc4)c(C)c(-c4ccc(ON)cc4)c3C)c2C)cc1
• InChI: InChI=1S/C43H41N3O3/c1-24-8-10-31(11-9-24)38-25(2)40(33-14-20-36(48-44)21-15-33)29(6)42(27(38)4)43-28(5)39(32-12-18-35(46-47)19-13-32)26(3)41(30(43)7)34-16-22-37(49-45)23-17-34/h8-23H,44-45H2,1-7H3
• InChIKey: ONSFQIHVKQYJEX-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 99.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.82
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine?

The IUPAC name of O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine (CID 174243881) is O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine.

What is the SMILES notation for O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine?

The canonical SMILES for O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine is Cc1ccc(-c2c(C)c(-c3ccc(ON)cc3)c(C)c(-c3c(C)c(-c4ccc(N=O)cc4)c(C)c(-c4ccc(ON)cc4)c3C)c2C)cc1.

What is the InChIKey of O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine?

The InChIKey is ONSFQIHVKQYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N3O3/c1-24-8-10-31(11-9-24)38-25(2)40(33-14-20-36(48-44)21-15-33)29(6)42(27(38)4)43-28(5)39(32-12-18-35(46-47)19-13-32)26(3)41(30(43)7)34-16-22-37(49-45)23-17-34/h8-23H,44-45H2,1-7H3.

What are the key properties of O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine?

O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine has a molecular weight of 647.82 g/mol, XLogP of 11.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine is sourced from PubChem (CID 174243881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).