2-(1-diphenylphosphanylethenyl)aniline

C20H18NP — CID 71676414

IUPAC2-(1-diphenylphosphanylethenyl)aniline
SMILESC=C(c1ccccc1N)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NP/c1-16(19-14-8-9-15-20(19)21)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1,21H2
InChIKeyFMVVMHLZTQSEOS-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.37
Rot. Bonds4

About 2-(1-diphenylphosphanylethenyl)aniline

2-(1-diphenylphosphanylethenyl)aniline (PubChem CID 71676414) has the molecular formula C20H18NP and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-(1-diphenylphosphanylethenyl)aniline.

Molecular Properties

Compound Name2-(1-diphenylphosphanylethenyl)aniline
PubChem CID71676414
Molecular FormulaC20H18NP
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name2-(1-diphenylphosphanylethenyl)aniline
SMILESC=C(c1ccccc1N)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NP/c1-16(19-14-8-9-15-20(19)21)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1,21H2
InChIKeyFMVVMHLZTQSEOS-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-diphenylphosphanylethenyl)aniline?
The IUPAC name of 2-(1-diphenylphosphanylethenyl)aniline (CID 71676414) is 2-(1-diphenylphosphanylethenyl)aniline.
What is the SMILES notation for 2-(1-diphenylphosphanylethenyl)aniline?
The canonical SMILES for 2-(1-diphenylphosphanylethenyl)aniline is C=C(c1ccccc1N)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-diphenylphosphanylethenyl)aniline?
The InChIKey is FMVVMHLZTQSEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NP/c1-16(19-14-8-9-15-20(19)21)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1,21H2.
What are the key properties of 2-(1-diphenylphosphanylethenyl)aniline?
2-(1-diphenylphosphanylethenyl)aniline has a molecular weight of 303.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-diphenylphosphanylethenyl)aniline is sourced from PubChem (CID 71676414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).