(E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine

C22H17N — CID 11312475

IUPAC(E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17N/c1-2-9-17(10-3-1)11-8-16-23-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-16,22H/b11-8+,23-16+
InChIKeyDLNWRXNLTWNLTR-IIXAAWDWSA-N
MW295.38 g/mol
LogP5.54
Rot. Bonds3

About (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine

(E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine (PubChem CID 11312475) has the molecular formula C22H17N and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine
PubChem CID11312475
Molecular FormulaC22H17N
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name(E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17N/c1-2-9-17(10-3-1)11-8-16-23-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-16,22H/b11-8+,23-16+
InChIKeyDLNWRXNLTWNLTR-IIXAAWDWSA-N
XLogP5.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine 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 (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine (CID 11312475) is (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine is C(=C/c1ccccc1)\C=N\C1c2ccccc2-c2ccccc21.
What is the InChIKey of (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine?
The InChIKey is DLNWRXNLTWNLTR-IIXAAWDWSA-N. The full InChI is InChI=1S/C22H17N/c1-2-9-17(10-3-1)11-8-16-23-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-16,22H/b11-8+,23-16+.
What are the key properties of (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine?
(E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine has a molecular weight of 295.38 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(9H-fluoren-9-yl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 11312475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).