6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine

C24H23F3N2O — CID 152581853

IUPAC6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine
SMILESCCN(CC)c1ccc2c(c1)Oc1ccc(C(F)(F)F)c(Nc3ccccc3)c1C2
InChIInChI=1S/C24H23F3N2O/c1-3-29(4-2)18-11-10-16-14-19-21(30-22(16)15-18)13-12-20(24(25,26)27)23(19)28-17-8-6-5-7-9-17/h5-13,15,28H,3-4,14H2,1-2H3
InChIKeyYTQLBXMDQKANTR-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.99
Rot. Bonds5

About 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine

6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine (PubChem CID 152581853) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine
PubChem CID152581853
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine
SMILESCCN(CC)c1ccc2c(c1)Oc1ccc(C(F)(F)F)c(Nc3ccccc3)c1C2
InChIInChI=1S/C24H23F3N2O/c1-3-29(4-2)18-11-10-16-14-19-21(30-22(16)15-18)13-12-20(24(25,26)27)23(19)28-17-8-6-5-7-9-17/h5-13,15,28H,3-4,14H2,1-2H3
InChIKeyYTQLBXMDQKANTR-UHFFFAOYSA-N
XLogP6.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-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 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine?
The IUPAC name of 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine (CID 152581853) is 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine.
What is the SMILES notation for 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine?
The canonical SMILES for 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine is CCN(CC)c1ccc2c(c1)Oc1ccc(C(F)(F)F)c(Nc3ccccc3)c1C2.
What is the InChIKey of 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine?
The InChIKey is YTQLBXMDQKANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c1-3-29(4-2)18-11-10-16-14-19-21(30-22(16)15-18)13-12-20(24(25,26)27)23(19)28-17-8-6-5-7-9-17/h5-13,15,28H,3-4,14H2,1-2H3.
What are the key properties of 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine?
6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine has a molecular weight of 412.46 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine is sourced from PubChem (CID 152581853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).