1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane

C26H28N2O3 — CID 155934165

IUPAC1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane
SMILESCOc1ccc(N2CC(=COCc3ccccc3)CN(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H28N2O3/c1-29-25-12-8-23(9-13-25)27-16-22(19-31-18-21-6-4-3-5-7-21)17-28(20-27)24-10-14-26(30-2)15-11-24/h3-15,19H,16-18,20H2,1-2H3
InChIKeyFNYUDEVFIFHIOV-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.09
Rot. Bonds7

About 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane

1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane (PubChem CID 155934165) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane
PubChem CID155934165
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane
SMILESCOc1ccc(N2CC(=COCc3ccccc3)CN(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H28N2O3/c1-29-25-12-8-23(9-13-25)27-16-22(19-31-18-21-6-4-3-5-7-21)17-28(20-27)24-10-14-26(30-2)15-11-24/h3-15,19H,16-18,20H2,1-2H3
InChIKeyFNYUDEVFIFHIOV-UHFFFAOYSA-N
XLogP5.09
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
N-benzyl-N-[(Z)-[1,3-bis(4-methoxyphenyl)-4-methyl-1,3-diazinan-5-ylidene]methyl]-4-methylbenzenesulfonamide
CID 177385510
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane
CID 172672745
(1S,2R,3S,4S,5R)-2,3-bis[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)cyclopentane-1-carbaldehyde
CID 10579163
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560964
3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
CID 15908643
(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 96581194

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane?
The IUPAC name of 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane (CID 155934165) is 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane is COc1ccc(N2CC(=COCc3ccccc3)CN(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane?
The InChIKey is FNYUDEVFIFHIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-29-25-12-8-23(9-13-25)27-16-22(19-31-18-21-6-4-3-5-7-21)17-28(20-27)24-10-14-26(30-2)15-11-24/h3-15,19H,16-18,20H2,1-2H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane?
1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane has a molecular weight of 416.52 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane is sourced from PubChem (CID 155934165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).