3-(1H-indol-2-yl)acridine

C21H14N2 — CID 151493055

IUPAC3-(1H-indol-2-yl)acridine
SMILESc1ccc2nc3cc(-c4cc5ccccc5[nH]4)ccc3cc2c1
InChIInChI=1S/C21H14N2/c1-3-7-18-14(5-1)11-16-9-10-17(13-20(16)22-18)21-12-15-6-2-4-8-19(15)23-21/h1-13,23H
InChIKeyPOWCYMARIPZUHE-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.54
Rot. Bonds1

About 3-(1H-indol-2-yl)acridine

3-(1H-indol-2-yl)acridine (PubChem CID 151493055) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)acridine.

Molecular Properties

Compound Name3-(1H-indol-2-yl)acridine
PubChem CID151493055
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name3-(1H-indol-2-yl)acridine
SMILESc1ccc2nc3cc(-c4cc5ccccc5[nH]4)ccc3cc2c1
InChIInChI=1S/C21H14N2/c1-3-7-18-14(5-1)11-16-9-10-17(13-20(16)22-18)21-12-15-6-2-4-8-19(15)23-21/h1-13,23H
InChIKeyPOWCYMARIPZUHE-UHFFFAOYSA-N
XLogP5.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indol-2-yl)phenol
CID 11287260
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
acridine
CID 21226281
2-(1H-indol-2-yl)quinazoline
CID 68890263
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
2-(5-methyl-3-pyridinyl)-1H-indole
CID 147492760
2-chloro-4-(1H-indol-2-yl)aniline
CID 150315319
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)acridine?
The IUPAC name of 3-(1H-indol-2-yl)acridine (CID 151493055) is 3-(1H-indol-2-yl)acridine.
What is the SMILES notation for 3-(1H-indol-2-yl)acridine?
The canonical SMILES for 3-(1H-indol-2-yl)acridine is c1ccc2nc3cc(-c4cc5ccccc5[nH]4)ccc3cc2c1.
What is the InChIKey of 3-(1H-indol-2-yl)acridine?
The InChIKey is POWCYMARIPZUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-3-7-18-14(5-1)11-16-9-10-17(13-20(16)22-18)21-12-15-6-2-4-8-19(15)23-21/h1-13,23H.
What are the key properties of 3-(1H-indol-2-yl)acridine?
3-(1H-indol-2-yl)acridine has a molecular weight of 294.36 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)acridine is sourced from PubChem (CID 151493055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).