(9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine

C38H22F4N2 — CID 122413656

IUPAC(9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine
SMILESFc1cccc(N2c3ccccc3/C(=C3/c4ccccc4N(c4cccc(F)c4)c4cc(F)ccc43)c3ccc(F)cc32)c1
InChIInChI=1S/C38H22F4N2/c39-23-7-5-9-27(19-23)43-33-13-3-1-11-29(33)37(31-17-15-25(41)21-35(31)43)38-30-12-2-4-14-34(30)44(28-10-6-8-24(40)20-28)36-22-26(42)16-18-32(36)38/h1-22H/b38-37+
InChIKeyLVDAIHHDPWQXOL-HEFFKOSUSA-N
MW582.60 g/mol
LogP10.82
Rot. Bonds2

About (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine

(9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine (PubChem CID 122413656) has the molecular formula C38H22F4N2 and a molecular weight of 582.60 g/mol. Its IUPAC name is (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine.

Molecular Properties

Compound Name(9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine
PubChem CID122413656
Molecular FormulaC38H22F4N2
Molecular Weight582.60 g/mol
Exact Mass582.17
IUPAC Name(9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine
SMILESFc1cccc(N2c3ccccc3/C(=C3/c4ccccc4N(c4cccc(F)c4)c4cc(F)ccc43)c3ccc(F)cc32)c1
InChIInChI=1S/C38H22F4N2/c39-23-7-5-9-27(19-23)43-33-13-3-1-11-29(33)37(31-17-15-25(41)21-35(31)43)38-30-12-2-4-14-34(30)44(28-10-6-8-24(40)20-28)36-22-26(42)16-18-32(36)38/h1-22H/b38-37+
InChIKeyLVDAIHHDPWQXOL-HEFFKOSUSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.60
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine 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 (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine?
The IUPAC name of (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine (CID 122413656) is (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine.
What is the SMILES notation for (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine?
The canonical SMILES for (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine is Fc1cccc(N2c3ccccc3/C(=C3/c4ccccc4N(c4cccc(F)c4)c4cc(F)ccc43)c3ccc(F)cc32)c1.
What is the InChIKey of (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine?
The InChIKey is LVDAIHHDPWQXOL-HEFFKOSUSA-N. The full InChI is InChI=1S/C38H22F4N2/c39-23-7-5-9-27(19-23)43-33-13-3-1-11-29(33)37(31-17-15-25(41)21-35(31)43)38-30-12-2-4-14-34(30)44(28-10-6-8-24(40)20-28)36-22-26(42)16-18-32(36)38/h1-22H/b38-37+.
What are the key properties of (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine?
(9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine has a molecular weight of 582.60 g/mol, XLogP of 10.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-3-fluoro-9-[3-fluoro-10-(3-fluorophenyl)acridin-9-ylidene]-10-(3-fluorophenyl)acridine is sourced from PubChem (CID 122413656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).