3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one

C25H36N4O3 — CID 10094803

IUPAC3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)CCOc1cc2c(cc1N)-c1cc(N)c(OCCN(CC)CC)cc1C2=O
InChIInChI=1S/C25H36N4O3/c1-5-28(6-2)9-11-31-23-15-19-17(13-21(23)26)18-14-22(27)24(16-20(18)25(19)30)32-12-10-29(7-3)8-4/h13-16H,5-12,26-27H2,1-4H3
InChIKeyVFNJHRGCSSGTCD-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.50
Rot. Bonds12

About 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one

3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one (PubChem CID 10094803) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
PubChem CID10094803
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)CCOc1cc2c(cc1N)-c1cc(N)c(OCCN(CC)CC)cc1C2=O
InChIInChI=1S/C25H36N4O3/c1-5-28(6-2)9-11-31-23-15-19-17(13-21(23)26)18-14-22(27)24(16-20(18)25(19)30)32-12-10-29(7-3)8-4/h13-16H,5-12,26-27H2,1-4H3
InChIKeyVFNJHRGCSSGTCD-UHFFFAOYSA-N
XLogP3.50
TPSA94.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The IUPAC name of 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one (CID 10094803) is 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one is CCN(CC)CCOc1cc2c(cc1N)-c1cc(N)c(OCCN(CC)CC)cc1C2=O.
What is the InChIKey of 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The InChIKey is VFNJHRGCSSGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-5-28(6-2)9-11-31-23-15-19-17(13-21(23)26)18-14-22(27)24(16-20(18)25(19)30)32-12-10-29(7-3)8-4/h13-16H,5-12,26-27H2,1-4H3.
What are the key properties of 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one has a molecular weight of 440.59 g/mol, XLogP of 3.50, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 10094803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).