2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide

C34H36N6O4 — CID 52913211

IUPAC2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5ccc(OCCN(C)C)cc5)nc4c3n2)cc1
InChIInChI=1S/C34H36N6O4/c1-39(2)19-21-43-27-13-9-25(10-14-27)35-33(41)29-17-7-23-5-6-24-8-18-30(38-32(24)31(23)37-29)34(42)36-26-11-15-28(16-12-26)44-22-20-40(3)4/h5-18H,19-22H2,1-4H3,(H,35,41)(H,36,42)
InChIKeyJYBQCVOPWQFDEA-UHFFFAOYSA-N
MW592.70 g/mol
LogP5.17
Rot. Bonds12

About 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide

2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide (PubChem CID 52913211) has the molecular formula C34H36N6O4 and a molecular weight of 592.70 g/mol. Its IUPAC name is 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide.

Molecular Properties

Compound Name2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide
PubChem CID52913211
Molecular FormulaC34H36N6O4
Molecular Weight592.70 g/mol
Exact Mass592.28
IUPAC Name2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5ccc(OCCN(C)C)cc5)nc4c3n2)cc1
InChIInChI=1S/C34H36N6O4/c1-39(2)19-21-43-27-13-9-25(10-14-27)35-33(41)29-17-7-23-5-6-24-8-18-30(38-32(24)31(23)37-29)34(42)36-26-11-15-28(16-12-26)44-22-20-40(3)4/h5-18H,19-22H2,1-4H3,(H,35,41)(H,36,42)
InChIKeyJYBQCVOPWQFDEA-UHFFFAOYSA-N
XLogP5.17
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide 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 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide?
The IUPAC name of 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide (CID 52913211) is 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide.
What is the SMILES notation for 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide?
The canonical SMILES for 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide is CN(C)CCOc1ccc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5ccc(OCCN(C)C)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide?
The InChIKey is JYBQCVOPWQFDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O4/c1-39(2)19-21-43-27-13-9-25(10-14-27)35-33(41)29-17-7-23-5-6-24-8-18-30(38-32(24)31(23)37-29)34(42)36-26-11-15-28(16-12-26)44-22-20-40(3)4/h5-18H,19-22H2,1-4H3,(H,35,41)(H,36,42).
What are the key properties of 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide?
2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide has a molecular weight of 592.70 g/mol, XLogP of 5.17, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide is sourced from PubChem (CID 52913211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).