4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline

C32H30N4 — CID 53315261

IUPAC4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccnc3c2ccc2c(/C=C/c4ccc(N(C)C)cc4)ccnc23)cc1
InChIInChI=1S/C32H30N4/c1-35(2)27-13-7-23(8-14-27)5-11-25-19-21-33-31-29(25)17-18-30-26(20-22-34-32(30)31)12-6-24-9-15-28(16-10-24)36(3)4/h5-22H,1-4H3/b11-5+,12-6+
InChIKeyVDFZNULLHNZALZ-YDWXAUTNSA-N
MW470.62 g/mol
LogP7.26
Rot. Bonds6

About 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 53315261) has the molecular formula C32H30N4 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline
PubChem CID53315261
Molecular FormulaC32H30N4
Molecular Weight470.62 g/mol
Exact Mass470.25
IUPAC Name4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccnc3c2ccc2c(/C=C/c4ccc(N(C)C)cc4)ccnc23)cc1
InChIInChI=1S/C32H30N4/c1-35(2)27-13-7-23(8-14-27)5-11-25-19-21-33-31-29(25)17-18-30-26(20-22-34-32(30)31)12-6-24-9-15-28(16-10-24)36(3)4/h5-22H,1-4H3/b11-5+,12-6+
InChIKeyVDFZNULLHNZALZ-YDWXAUTNSA-N
XLogP7.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline (CID 53315261) is 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccnc3c2ccc2c(/C=C/c4ccc(N(C)C)cc4)ccnc23)cc1.
What is the InChIKey of 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is VDFZNULLHNZALZ-YDWXAUTNSA-N. The full InChI is InChI=1S/C32H30N4/c1-35(2)27-13-7-23(8-14-27)5-11-25-19-21-33-31-29(25)17-18-30-26(20-22-34-32(30)31)12-6-24-9-15-28(16-10-24)36(3)4/h5-22H,1-4H3/b11-5+,12-6+.
What are the key properties of 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 470.62 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,10-phenanthrolin-4-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 53315261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).