(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine

C21H18NOP — CID 11313530

IUPAC(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine
SMILESO=P(/N=C1\CCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18NOP/c23-24(18-10-3-1-4-11-18,19-12-5-2-6-13-19)22-21-16-15-17-9-7-8-14-20(17)21/h1-14H,15-16H2/b22-21+
InChIKeyMDUBXOVBHUQRRO-QURGRASLSA-N
MW331.36 g/mol
LogP4.35
Rot. Bonds3

About (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine

(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine (PubChem CID 11313530) has the molecular formula C21H18NOP and a molecular weight of 331.36 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine
PubChem CID11313530
Molecular FormulaC21H18NOP
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC Name(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine
SMILESO=P(/N=C1\CCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18NOP/c23-24(18-10-3-1-4-11-18,19-12-5-2-6-13-19)22-21-16-15-17-9-7-8-14-20(17)21/h1-14H,15-16H2/b22-21+
InChIKeyMDUBXOVBHUQRRO-QURGRASLSA-N
XLogP4.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-bis(3-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153521989
(E)-N-bis(4-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153522002
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
1-(9H-Fluoren-9-ylidene)-2-(triphenyl-lambda~5~-phosphanylidene)hydrazine
CID 277886
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
CID 162411968
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
CID 11221276
(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine
CID 11290909
(E)-N-diphenylphosphoryl-1-(2-methylphenyl)methanimine
CID 12167332
(Z)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine
CID 20650068

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine (CID 11313530) is (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine is O=P(/N=C1\CCc2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine?
The InChIKey is MDUBXOVBHUQRRO-QURGRASLSA-N. The full InChI is InChI=1S/C21H18NOP/c23-24(18-10-3-1-4-11-18,19-12-5-2-6-13-19)22-21-16-15-17-9-7-8-14-20(17)21/h1-14H,15-16H2/b22-21+.
What are the key properties of (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine?
(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine has a molecular weight of 331.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 11313530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).