4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline

C26H23NO — CID 2751493

IUPAC4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1
InChIInChI=1S/C26H23NO/c1-27(2)24-15-13-20(14-16-24)17-21-18-25(22-9-5-3-6-10-22)28-26(19-21)23-11-7-4-8-12-23/h3-19H,1-2H3
InChIKeyNQBZIJIPEPIDMC-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.25
Rot. Bonds4

About 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline

4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline (PubChem CID 2751493) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline
PubChem CID2751493
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1
InChIInChI=1S/C26H23NO/c1-27(2)24-15-13-20(14-16-24)17-21-18-25(22-9-5-3-6-10-22)28-26(19-21)23-11-7-4-8-12-23/h3-19H,1-2H3
InChIKeyNQBZIJIPEPIDMC-UHFFFAOYSA-N
XLogP6.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline (CID 2751493) is 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1.
What is the InChIKey of 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline?
The InChIKey is NQBZIJIPEPIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-27(2)24-15-13-20(14-16-24)17-21-18-25(22-9-5-3-6-10-22)28-26(19-21)23-11-7-4-8-12-23/h3-19H,1-2H3.
What are the key properties of 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline?
4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline has a molecular weight of 365.48 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-diphenylpyran-4-ylidene)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2751493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).