(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine

C22H20NOP — CID 11057088

IUPAC(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
SMILESO=P(/N=C1\CCCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c24-25(19-12-3-1-4-13-19,20-14-5-2-6-15-20)23-22-17-9-11-18-10-7-8-16-21(18)22/h1-8,10,12-16H,9,11,17H2/b23-22+
InChIKeyGMSSDCKJIWDUFL-GHVJWSGMSA-N
MW345.38 g/mol
LogP4.74
Rot. Bonds3

About (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine

(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 11057088) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID11057088
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
SMILESO=P(/N=C1\CCCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c24-25(19-12-3-1-4-13-19,20-14-5-2-6-15-20)23-22-17-9-11-18-10-7-8-16-21(18)22/h1-8,10,12-16H,9,11,17H2/b23-22+
InChIKeyGMSSDCKJIWDUFL-GHVJWSGMSA-N
XLogP4.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine (CID 11057088) is (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine is O=P(/N=C1\CCCc2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is GMSSDCKJIWDUFL-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H20NOP/c24-25(19-12-3-1-4-13-19,20-14-5-2-6-15-20)23-22-17-9-11-18-10-7-8-16-21(18)22/h1-8,10,12-16H,9,11,17H2/b23-22+.
What are the key properties of (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 345.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 11057088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).