N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine

C24H28N4O2 — CID 46703494

IUPACN-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1
InChIInChI=1S/C24H28N4O2/c1-5-28(6-2)12-11-25-23-10-8-18-20(27-23)9-7-17-19-14-22(30-4)21(29-3)13-16(19)15-26-24(17)18/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,27)
InChIKeyWZABHROQWWBPHW-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.71
Rot. Bonds8

About N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine

N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 46703494) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID46703494
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1
InChIInChI=1S/C24H28N4O2/c1-5-28(6-2)12-11-25-23-10-8-18-20(27-23)9-7-17-19-14-22(30-4)21(29-3)13-16(19)15-26-24(17)18/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,27)
InChIKeyWZABHROQWWBPHW-UHFFFAOYSA-N
XLogP4.71
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine (CID 46703494) is N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1.
What is the InChIKey of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is WZABHROQWWBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-28(6-2)12-11-25-23-10-8-18-20(27-23)9-7-17-19-14-22(30-4)21(29-3)13-16(19)15-26-24(17)18/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,27).
What are the key properties of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine?
N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 404.51 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-2-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 46703494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).