(4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene

C33H30Cl2N4O4 — CID 101252366

About (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene

(4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene (PubChem CID 101252366) has the molecular formula C33H30Cl2N4O4 and a molecular weight of 617.53 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene
• PubChem CID: 101252366
• Molecular Formula: C33H30Cl2N4O4
• Molecular Weight: 617.53 g/mol
• Exact Mass: 616.16
• IUPAC Name: (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene
• SMILES: CC(C)(c1ccc(OCC2CO2)c(/N=N/c2ccc(Cl)cc2)c1)c1ccc(OCC2CO2)c(/N=N/c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C33H30Cl2N4O4/c1-33(2,21-3-13-31(42-19-27-17-40-27)29(15-21)38-36-25-9-5-23(34)6-10-25)22-4-14-32(43-20-28-18-41-28)30(16-22)39-37-26-11-7-24(35)8-12-26/h3-16,27-28H,17-20H2,1-2H3/b38-36+,39-37+
• InChIKey: JMXLIWXIGIQJOJ-NFSGFYSESA-N
• XLogP: 9.71
• TPSA: 92.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.53
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene?

The IUPAC name of (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene (CID 101252366) is (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene.

What is the SMILES notation for (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene?

The canonical SMILES for (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene is CC(C)(c1ccc(OCC2CO2)c(/N=N/c2ccc(Cl)cc2)c1)c1ccc(OCC2CO2)c(/N=N/c2ccc(Cl)cc2)c1.

What is the InChIKey of (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene?

The InChIKey is JMXLIWXIGIQJOJ-NFSGFYSESA-N. The full InChI is InChI=1S/C33H30Cl2N4O4/c1-33(2,21-3-13-31(42-19-27-17-40-27)29(15-21)38-36-25-9-5-23(34)6-10-25)22-4-14-32(43-20-28-18-41-28)30(16-22)39-37-26-11-7-24(35)8-12-26/h3-16,27-28H,17-20H2,1-2H3/b38-36+,39-37+.

What are the key properties of (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene?

(4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene has a molecular weight of 617.53 g/mol, XLogP of 9.71, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene is sourced from PubChem (CID 101252366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).