N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine

C27H22F2N4 — CID 634909

IUPACN,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(F)cc3)c3ccccc3nc-2cc1Nc1ccc(F)cc1
InChIInChI=1S/C27H22F2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
InChIKeyBESASOBZONCYGL-BGABXYSRSA-N
MW440.50 g/mol
LogP6.46
Rot. Bonds4

About N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine

N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 634909) has the molecular formula C27H22F2N4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine
PubChem CID634909
Molecular FormulaC27H22F2N4
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(F)cc3)c3ccccc3nc-2cc1Nc1ccc(F)cc1
InChIInChI=1S/C27H22F2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
InChIKeyBESASOBZONCYGL-BGABXYSRSA-N
XLogP6.46
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine 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,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine (CID 634909) is N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine is CC(C)/N=c1\cc2n(-c3ccc(F)cc3)c3ccccc3nc-2cc1Nc1ccc(F)cc1.
What is the InChIKey of N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine?
The InChIKey is BESASOBZONCYGL-BGABXYSRSA-N. The full InChI is InChI=1S/C27H22F2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+.
What are the key properties of N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine?
N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 440.50 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 634909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).