N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide

C35H32N4O4 — CID 100979920

IUPACN,N'-bis(5-hydroxyacridin-4-yl)nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cccc2cc3cccc(O)c3nc12)Nc1cccc2cc3cccc(O)c3nc12
InChIInChI=1S/C35H32N4O4/c40-28-16-8-12-24-20-22-10-6-14-26(32(22)38-34(24)28)36-30(42)18-4-2-1-3-5-19-31(43)37-27-15-7-11-23-21-25-13-9-17-29(41)35(25)39-33(23)27/h6-17,20-21,40-41H,1-5,18-19H2,(H,36,42)(H,37,43)
InChIKeyXWVHROVPUNIVMB-UHFFFAOYSA-N
MW572.67 g/mol
LogP7.81
Rot. Bonds10

About N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide

N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide (PubChem CID 100979920) has the molecular formula C35H32N4O4 and a molecular weight of 572.67 g/mol. Its IUPAC name is N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide.

Molecular Properties

Compound NameN,N'-bis(5-hydroxyacridin-4-yl)nonanediamide
PubChem CID100979920
Molecular FormulaC35H32N4O4
Molecular Weight572.67 g/mol
Exact Mass572.24
IUPAC NameN,N'-bis(5-hydroxyacridin-4-yl)nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cccc2cc3cccc(O)c3nc12)Nc1cccc2cc3cccc(O)c3nc12
InChIInChI=1S/C35H32N4O4/c40-28-16-8-12-24-20-22-10-6-14-26(32(22)38-34(24)28)36-30(42)18-4-2-1-3-5-19-31(43)37-27-15-7-11-23-21-25-13-9-17-29(41)35(25)39-33(23)27/h6-17,20-21,40-41H,1-5,18-19H2,(H,36,42)(H,37,43)
InChIKeyXWVHROVPUNIVMB-UHFFFAOYSA-N
XLogP7.81
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 57.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide?
The IUPAC name of N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide (CID 100979920) is N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide.
What is the SMILES notation for N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide?
The canonical SMILES for N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide is O=C(CCCCCCCC(=O)Nc1cccc2cc3cccc(O)c3nc12)Nc1cccc2cc3cccc(O)c3nc12.
What is the InChIKey of N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide?
The InChIKey is XWVHROVPUNIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O4/c40-28-16-8-12-24-20-22-10-6-14-26(32(22)38-34(24)28)36-30(42)18-4-2-1-3-5-19-31(43)37-27-15-7-11-23-21-25-13-9-17-29(41)35(25)39-33(23)27/h6-17,20-21,40-41H,1-5,18-19H2,(H,36,42)(H,37,43).
What are the key properties of N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide?
N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide has a molecular weight of 572.67 g/mol, XLogP of 7.81, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-hydroxyacridin-4-yl)nonanediamide is sourced from PubChem (CID 100979920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).