4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline

C30H30N4 — CID 74184490

IUPAC4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccnc(-c3cc(C=Cc4ccc(N(C)C)cc4)ccn3)c2)cc1
InChIInChI=1S/C30H30N4/c1-33(2)27-13-9-23(10-14-27)5-7-25-17-19-31-29(21-25)30-22-26(18-20-32-30)8-6-24-11-15-28(16-12-24)34(3)4/h5-22H,1-4H3
InChIKeyXYKUGOYLBPMTEK-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.62
Rot. Bonds7

About 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline

4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline (PubChem CID 74184490) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline
PubChem CID74184490
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccnc(-c3cc(C=Cc4ccc(N(C)C)cc4)ccn3)c2)cc1
InChIInChI=1S/C30H30N4/c1-33(2)27-13-9-23(10-14-27)5-7-25-17-19-31-29(21-25)30-22-26(18-20-32-30)8-6-24-11-15-28(16-12-24)34(3)4/h5-22H,1-4H3
InChIKeyXYKUGOYLBPMTEK-UHFFFAOYSA-N
XLogP6.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline (CID 74184490) is 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2ccnc(-c3cc(C=Cc4ccc(N(C)C)cc4)ccn3)c2)cc1.
What is the InChIKey of 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is XYKUGOYLBPMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1-33(2)27-13-9-23(10-14-27)5-7-25-17-19-31-29(21-25)30-22-26(18-20-32-30)8-6-24-11-15-28(16-12-24)34(3)4/h5-22H,1-4H3.
What are the key properties of 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline?
4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 446.60 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 74184490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).