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

C21H13N5 — CID 11209858

IUPAC2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1
InChIInChI=1S/C21H13N5/c1-2-8-16-12(5-1)15(11-24-16)21-25-19-13-6-3-9-22-17(13)18-14(20(19)26-21)7-4-10-23-18/h1-11,24H,(H,25,26)
InChIKeyWAPLJTPWONPSSY-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.81
Rot. Bonds1

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

2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 11209858) has the molecular formula C21H13N5 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID11209858
Molecular FormulaC21H13N5
Molecular Weight335.37 g/mol
Exact Mass335.12
IUPAC Name2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1
InChIInChI=1S/C21H13N5/c1-2-8-16-12(5-1)15(11-24-16)21-25-19-13-6-3-9-22-17(13)18-14(20(19)26-21)7-4-10-23-18/h1-11,24H,(H,25,26)
InChIKeyWAPLJTPWONPSSY-UHFFFAOYSA-N
XLogP4.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.81
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-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 11209858) is 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is WAPLJTPWONPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5/c1-2-8-16-12(5-1)15(11-24-16)21-25-19-13-6-3-9-22-17(13)18-14(20(19)26-21)7-4-10-23-18/h1-11,24H,(H,25,26).
What are the key properties of 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 335.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 11209858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).