2-[fluoren-9-ylidene(phenyl)methyl]aniline

C26H19N — CID 11988680

IUPAC2-[fluoren-9-ylidene(phenyl)methyl]aniline
SMILESNc1ccccc1C(=C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C26H19N/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-17H,27H2
InChIKeyXBDYURPMADDQPI-UHFFFAOYSA-N
MW345.45 g/mol
LogP6.26
Rot. Bonds2

About 2-[fluoren-9-ylidene(phenyl)methyl]aniline

2-[fluoren-9-ylidene(phenyl)methyl]aniline (PubChem CID 11988680) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[fluoren-9-ylidene(phenyl)methyl]aniline.

Molecular Properties

Compound Name2-[fluoren-9-ylidene(phenyl)methyl]aniline
PubChem CID11988680
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC Name2-[fluoren-9-ylidene(phenyl)methyl]aniline
SMILESNc1ccccc1C(=C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C26H19N/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-17H,27H2
InChIKeyXBDYURPMADDQPI-UHFFFAOYSA-N
XLogP6.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoren-9-ylidene(phenyl)methyl]aniline?
The IUPAC name of 2-[fluoren-9-ylidene(phenyl)methyl]aniline (CID 11988680) is 2-[fluoren-9-ylidene(phenyl)methyl]aniline.
What is the SMILES notation for 2-[fluoren-9-ylidene(phenyl)methyl]aniline?
The canonical SMILES for 2-[fluoren-9-ylidene(phenyl)methyl]aniline is Nc1ccccc1C(=C1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[fluoren-9-ylidene(phenyl)methyl]aniline?
The InChIKey is XBDYURPMADDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-17H,27H2.
What are the key properties of 2-[fluoren-9-ylidene(phenyl)methyl]aniline?
2-[fluoren-9-ylidene(phenyl)methyl]aniline has a molecular weight of 345.45 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoren-9-ylidene(phenyl)methyl]aniline is sourced from PubChem (CID 11988680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).