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

C29H26NO2P — CID 10599690

IUPAC(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1cccc(C2CCc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H26NO2P/c1-32-24-13-10-12-23(21-24)28-20-19-22-11-8-9-18-27(22)29(28)30-33(31,25-14-4-2-5-15-25)26-16-6-3-7-17-26/h2-18,21,28H,19-20H2,1H3/b30-29-
InChIKeyGLFONOMNSVUEPV-FLWNBWAVSA-N
MW451.51 g/mol
LogP6.14
Rot. Bonds5

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

(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 10599690) has the molecular formula C29H26NO2P and a molecular weight of 451.51 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID10599690
Molecular FormulaC29H26NO2P
Molecular Weight451.51 g/mol
Exact Mass451.17
IUPAC Name(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1cccc(C2CCc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H26NO2P/c1-32-24-13-10-12-23(21-24)28-20-19-22-11-8-9-18-27(22)29(28)30-33(31,25-14-4-2-5-15-25)26-16-6-3-7-17-26/h2-18,21,28H,19-20H2,1H3/b30-29-
InChIKeyGLFONOMNSVUEPV-FLWNBWAVSA-N
XLogP6.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 56.14
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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Related Compounds

(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
CID 10647239
(NE)-N-(7-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 10635537
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
CID 98232209
(NZ)-N-[2-(3-methoxyphenyl)cyclohexylidene]hydroxylamine
CID 6183979
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
N-(2-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 85451708
2-[2-(3-methoxyphenyl)aziridin-1-yl]isoindole-1,3-dione
CID 13275798

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine (CID 10599690) is (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine is COc1cccc(C2CCc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is GLFONOMNSVUEPV-FLWNBWAVSA-N. The full InChI is InChI=1S/C29H26NO2P/c1-32-24-13-10-12-23(21-24)28-20-19-22-11-8-9-18-27(22)29(28)30-33(31,25-14-4-2-5-15-25)26-16-6-3-7-17-26/h2-18,21,28H,19-20H2,1H3/b30-29-.
What are the key properties of (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 451.51 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 10599690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).