4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline

C24H27N5 — CID 11417776

IUPAC4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline
SMILESCc1nc(/C=C/c2ccc(N(C)C)cc2)nc(/C=C/c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C24H27N5/c1-18-25-23(16-10-19-6-12-21(13-7-19)28(2)3)27-24(26-18)17-11-20-8-14-22(15-9-20)29(4)5/h6-17H,1-5H3/b16-10+,17-11+
InChIKeyGKEGBEZEDLWTKM-OTYYAQKOSA-N
MW385.52 g/mol
LogP4.65
Rot. Bonds6

About 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 11417776) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline
PubChem CID11417776
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline
SMILESCc1nc(/C=C/c2ccc(N(C)C)cc2)nc(/C=C/c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C24H27N5/c1-18-25-23(16-10-19-6-12-21(13-7-19)28(2)3)27-24(26-18)17-11-20-8-14-22(15-9-20)29(4)5/h6-17H,1-5H3/b16-10+,17-11+
InChIKeyGKEGBEZEDLWTKM-OTYYAQKOSA-N
XLogP4.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline (CID 11417776) is 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline is Cc1nc(/C=C/c2ccc(N(C)C)cc2)nc(/C=C/c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is GKEGBEZEDLWTKM-OTYYAQKOSA-N. The full InChI is InChI=1S/C24H27N5/c1-18-25-23(16-10-19-6-12-21(13-7-19)28(2)3)27-24(26-18)17-11-20-8-14-22(15-9-20)29(4)5/h6-17H,1-5H3/b16-10+,17-11+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 385.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,3,5-triazin-2-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 11417776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).