2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine

C26H25Cl2NO2 — CID 45272989

IUPAC2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine
SMILESCC1C(=NOCc2ccccc2)C(C)C(c2ccc(Cl)cc2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C26H25Cl2NO2/c1-17-24(29-30-16-19-6-4-3-5-7-19)18(2)26(21-10-14-23(28)15-11-21)31-25(17)20-8-12-22(27)13-9-20/h3-15,17-18,25-26H,16H2,1-2H3
InChIKeyKKOQDOZEGJQUTB-UHFFFAOYSA-N
MW454.40 g/mol
LogP7.65
Rot. Bonds5

About 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine

2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine (PubChem CID 45272989) has the molecular formula C26H25Cl2NO2 and a molecular weight of 454.40 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine
PubChem CID45272989
Molecular FormulaC26H25Cl2NO2
Molecular Weight454.40 g/mol
Exact Mass453.13
IUPAC Name2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine
SMILESCC1C(=NOCc2ccccc2)C(C)C(c2ccc(Cl)cc2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C26H25Cl2NO2/c1-17-24(29-30-16-19-6-4-3-5-7-19)18(2)26(21-10-14-23(28)15-11-21)31-25(17)20-8-12-22(27)13-9-20/h3-15,17-18,25-26H,16H2,1-2H3
InChIKeyKKOQDOZEGJQUTB-UHFFFAOYSA-N
XLogP7.65
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(4-chlorophenyl)-N-phenylmethoxy-3-azabicyclo[3.3.1]nonan-9-imine
CID 46878944
N-[(4-chlorophenyl)methoxy]-2-methyl-1,3-dithian-5-imine
CID 2805582
3,4,5,6-tetrachloro-1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328504
2-methyl-N-phenylmethoxy-1,3-dithian-5-imine
CID 2805584
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
(E)-3-methyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272940
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol
CID 11054569
1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328565
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine?
The IUPAC name of 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine (CID 45272989) is 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine is CC1C(=NOCc2ccccc2)C(C)C(c2ccc(Cl)cc2)OC1c1ccc(Cl)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine?
The InChIKey is KKOQDOZEGJQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO2/c1-17-24(29-30-16-19-6-4-3-5-7-19)18(2)26(21-10-14-23(28)15-11-21)31-25(17)20-8-12-22(27)13-9-20/h3-15,17-18,25-26H,16H2,1-2H3.
What are the key properties of 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine?
2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine has a molecular weight of 454.40 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxyoxan-4-imine is sourced from PubChem (CID 45272989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).