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

C22H17N — CID 5351660

IUPAC(E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H17N/c1-2-7-17(8-3-1)9-6-14-23-20-12-13-22-19(16-20)15-18-10-4-5-11-21(18)22/h1-14,16H,15H2/b9-6+,23-14+
InChIKeyKNNZYQMTSPFAGR-SKRBABGKSA-N
MW295.38 g/mol
LogP5.67
Rot. Bonds3

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

(E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine (PubChem CID 5351660) has the molecular formula C22H17N and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine
PubChem CID5351660
Molecular FormulaC22H17N
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name(E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H17N/c1-2-7-17(8-3-1)9-6-14-23-20-12-13-22-19(16-20)15-18-10-4-5-11-21(18)22/h1-14,16H,15H2/b9-6+,23-14+
InChIKeyKNNZYQMTSPFAGR-SKRBABGKSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine (CID 5351660) is (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine is C(=C/c1ccccc1)\C=N\c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine?
The InChIKey is KNNZYQMTSPFAGR-SKRBABGKSA-N. The full InChI is InChI=1S/C22H17N/c1-2-7-17(8-3-1)9-6-14-23-20-12-13-22-19(16-20)15-18-10-4-5-11-21(18)22/h1-14,16H,15H2/b9-6+,23-14+.
What are the key properties of (E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine?
(E)-N-(9H-fluoren-2-yl)-3-phenylprop-2-en-1-imine has a molecular weight of 295.38 g/mol, XLogP of 5.67, 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-2-yl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 5351660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).