3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline

C24H22N4 — CID 102223329

IUPAC3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline
SMILESCc1cc(C)c(C)c(Cn2cnc3c4cccnc4c4ncccc4c32)c1C
InChIInChI=1S/C24H22N4/c1-14-11-15(2)17(4)20(16(14)3)12-28-13-27-23-18-7-5-9-25-21(18)22-19(24(23)28)8-6-10-26-22/h5-11,13H,12H2,1-4H3
InChIKeySOMCFZOMERYVSV-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.41
Rot. Bonds2

About 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline

3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline (PubChem CID 102223329) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline
PubChem CID102223329
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline
SMILESCc1cc(C)c(C)c(Cn2cnc3c4cccnc4c4ncccc4c32)c1C
InChIInChI=1S/C24H22N4/c1-14-11-15(2)17(4)20(16(14)3)12-28-13-27-23-18-7-5-9-25-21(18)22-19(24(23)28)8-6-10-26-22/h5-11,13H,12H2,1-4H3
InChIKeySOMCFZOMERYVSV-UHFFFAOYSA-N
XLogP5.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline (CID 102223329) is 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline is Cc1cc(C)c(C)c(Cn2cnc3c4cccnc4c4ncccc4c32)c1C.
What is the InChIKey of 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is SOMCFZOMERYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-14-11-15(2)17(4)20(16(14)3)12-28-13-27-23-18-7-5-9-25-21(18)22-19(24(23)28)8-6-10-26-22/h5-11,13H,12H2,1-4H3.
What are the key properties of 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline?
3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 366.47 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 102223329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).