2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C23H15N5 — CID 89277515

IUPAC2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESC=Cc1ccc2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1
InChIInChI=1S/C23H15N5/c1-2-13-7-8-18-16(11-13)17(12-26-18)23-27-21-14-5-3-9-24-19(14)20-15(22(21)28-23)6-4-10-25-20/h2-12,26H,1H2,(H,27,28)
InChIKeyPPQFAFISNVOLCO-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.45
Rot. Bonds2

About 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 89277515) has the molecular formula C23H15N5 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID89277515
Molecular FormulaC23H15N5
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESC=Cc1ccc2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1
InChIInChI=1S/C23H15N5/c1-2-13-7-8-18-16(11-13)17(12-26-18)23-27-21-14-5-3-9-24-19(14)20-15(22(21)28-23)6-4-10-25-20/h2-12,26H,1H2,(H,27,28)
InChIKeyPPQFAFISNVOLCO-UHFFFAOYSA-N
XLogP5.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 89277515) is 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is C=Cc1ccc2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1.
What is the InChIKey of 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is PPQFAFISNVOLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5/c1-2-13-7-8-18-16(11-13)17(12-26-18)23-27-21-14-5-3-9-24-19(14)20-15(22(21)28-23)6-4-10-25-20/h2-12,26H,1H2,(H,27,28).
What are the key properties of 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 361.41 g/mol, XLogP of 5.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 89277515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).