N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine

C26H20NOP — CID 134933697

IUPACN-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine
SMILESO=P(NC=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20NOP/c28-29(20-11-3-1-4-12-20,21-13-5-2-6-14-21)27-19-26-24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-19H,(H,27,28)
InChIKeyKOBUEUJNEJQALP-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.57
Rot. Bonds4

About N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine

N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine (PubChem CID 134933697) has the molecular formula C26H20NOP and a molecular weight of 393.43 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine
PubChem CID134933697
Molecular FormulaC26H20NOP
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC NameN-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine
SMILESO=P(NC=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20NOP/c28-29(20-11-3-1-4-12-20,21-13-5-2-6-14-21)27-19-26-24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-19H,(H,27,28)
InChIKeyKOBUEUJNEJQALP-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine?
The IUPAC name of N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine (CID 134933697) is N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine.
What is the SMILES notation for N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine?
The canonical SMILES for N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine is O=P(NC=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine?
The InChIKey is KOBUEUJNEJQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NOP/c28-29(20-11-3-1-4-12-20,21-13-5-2-6-14-21)27-19-26-24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-19H,(H,27,28).
What are the key properties of N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine?
N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine has a molecular weight of 393.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine is sourced from PubChem (CID 134933697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).