N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine

C23H18NPS — CID 102246105

IUPACN-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine
SMILESC(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1cccs1
InChIInChI=1S/C23H18NPS/c1-3-10-19(11-4-1)25(20-12-5-2-6-13-20)23-16-8-7-15-22(23)24-18-21-14-9-17-26-21/h1-18H/b24-18+
InChIKeyYFNSHKMFHZLTGP-HKOYGPOVSA-N
MW371.45 g/mol
LogP5.26
Rot. Bonds5

About N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine

N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine (PubChem CID 102246105) has the molecular formula C23H18NPS and a molecular weight of 371.45 g/mol. Its IUPAC name is N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine
PubChem CID102246105
Molecular FormulaC23H18NPS
Molecular Weight371.45 g/mol
Exact Mass371.09
IUPAC NameN-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine
SMILESC(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1cccs1
InChIInChI=1S/C23H18NPS/c1-3-10-19(11-4-1)25(20-12-5-2-6-13-20)23-16-8-7-15-22(23)24-18-21-14-9-17-26-21/h1-18H/b24-18+
InChIKeyYFNSHKMFHZLTGP-HKOYGPOVSA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.45
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine (CID 102246105) is N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine is C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1cccs1.
What is the InChIKey of N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is YFNSHKMFHZLTGP-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H18NPS/c1-3-10-19(11-4-1)25(20-12-5-2-6-13-20)23-16-8-7-15-22(23)24-18-21-14-9-17-26-21/h1-18H/b24-18+.
What are the key properties of N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine?
N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 371.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 102246105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).