(E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine

C18H12N2S — CID 169408622

IUPAC(E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine
SMILESC1=C/C(=N\N=C\c2ccsc2)C2=Cc3ccccc3C2=C1
InChIInChI=1S/C18H12N2S/c1-2-5-15-14(4-1)10-17-16(15)6-3-7-18(17)20-19-11-13-8-9-21-12-13/h1-12H/b19-11+,20-18+
InChIKeyRRFKNQJYHFKZOL-DSTXHIGZSA-N
MW288.38 g/mol
LogP4.57
Rot. Bonds2

About (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine

(E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine (PubChem CID 169408622) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine.

Molecular Properties

Compound Name(E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine
PubChem CID169408622
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name(E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine
SMILESC1=C/C(=N\N=C\c2ccsc2)C2=Cc3ccccc3C2=C1
InChIInChI=1S/C18H12N2S/c1-2-5-15-14(4-1)10-17-16(15)6-3-7-18(17)20-19-11-13-8-9-21-12-13/h1-12H/b19-11+,20-18+
InChIKeyRRFKNQJYHFKZOL-DSTXHIGZSA-N
XLogP4.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine?
The IUPAC name of (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine (CID 169408622) is (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine.
What is the SMILES notation for (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine?
The canonical SMILES for (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine is C1=C/C(=N\N=C\c2ccsc2)C2=Cc3ccccc3C2=C1.
What is the InChIKey of (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine?
The InChIKey is RRFKNQJYHFKZOL-DSTXHIGZSA-N. The full InChI is InChI=1S/C18H12N2S/c1-2-5-15-14(4-1)10-17-16(15)6-3-7-18(17)20-19-11-13-8-9-21-12-13/h1-12H/b19-11+,20-18+.
What are the key properties of (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine?
(E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine has a molecular weight of 288.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-thiophen-3-ylmethylideneamino]fluoren-1-imine is sourced from PubChem (CID 169408622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).