(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine

C28H24NO3P — CID 10503852

IUPAC(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
SMILESCOc1ccc(C2COc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24NO3P/c1-31-22-18-16-21(17-19-22)26-20-32-27-15-9-8-14-25(27)28(26)29-33(30,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19,26H,20H2,1H3/b29-28-
InChIKeyKIJJZKAWUBIEDG-ZIADKAODSA-N
MW453.48 g/mol
LogP5.59
Rot. Bonds5

About (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine

(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine (PubChem CID 10503852) has the molecular formula C28H24NO3P and a molecular weight of 453.48 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
PubChem CID10503852
Molecular FormulaC28H24NO3P
Molecular Weight453.48 g/mol
Exact Mass453.15
IUPAC Name(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
SMILESCOc1ccc(C2COc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24NO3P/c1-31-22-18-16-21(17-19-22)26-20-32-27-15-9-8-14-25(27)28(26)29-33(30,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19,26H,20H2,1H3/b29-28-
InChIKeyKIJJZKAWUBIEDG-ZIADKAODSA-N
XLogP5.59
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 10599690
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 1482114
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
CID 91667508
3-[(4-methoxyanilino)methyl]-2,3-dihydrochromen-4-one
CID 56693784
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
N-[(6-methoxy-3-phenyl-2,3-dihydrochromen-4-ylidene)amino]-2,4-dinitroaniline
CID 90994136
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine (CID 10503852) is (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine is COc1ccc(C2COc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
The InChIKey is KIJJZKAWUBIEDG-ZIADKAODSA-N. The full InChI is InChI=1S/C28H24NO3P/c1-31-22-18-16-21(17-19-22)26-20-32-27-15-9-8-14-25(27)28(26)29-33(30,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19,26H,20H2,1H3/b29-28-.
What are the key properties of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine has a molecular weight of 453.48 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine is sourced from PubChem (CID 10503852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).