3H-dioxatrisilole;9-(4-fluorophenyl)acridine

C19H16FNO2Si3 — CID 161091415

IUPAC3H-dioxatrisilole;9-(4-fluorophenyl)acridine
SMILESFc1ccc(-c2c3ccccc3nc3ccccc23)cc1.O1O[SiH2][SiH]=[SiH]1
InChIInChI=1S/C19H12FN.H4O2Si3/c20-14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19;1-2-4-5-3-1/h1-12H;3,5H,4H2
InChIKeyUHFNYOJXGFYHTP-UHFFFAOYSA-N
MW393.60 g/mol
LogP2.84
Rot. Bonds1

About 3H-dioxatrisilole;9-(4-fluorophenyl)acridine

3H-dioxatrisilole;9-(4-fluorophenyl)acridine (PubChem CID 161091415) has the molecular formula C19H16FNO2Si3 and a molecular weight of 393.60 g/mol. Its IUPAC name is 3H-dioxatrisilole;9-(4-fluorophenyl)acridine.

Molecular Properties

Compound Name3H-dioxatrisilole;9-(4-fluorophenyl)acridine
PubChem CID161091415
Molecular FormulaC19H16FNO2Si3
Molecular Weight393.60 g/mol
Exact Mass393.05
IUPAC Name3H-dioxatrisilole;9-(4-fluorophenyl)acridine
SMILESFc1ccc(-c2c3ccccc3nc3ccccc23)cc1.O1O[SiH2][SiH]=[SiH]1
InChIInChI=1S/C19H12FN.H4O2Si3/c20-14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19;1-2-4-5-3-1/h1-12H;3,5H,4H2
InChIKeyUHFNYOJXGFYHTP-UHFFFAOYSA-N
XLogP2.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
[4-(4-fluorophenyl)-2-propylquinolin-3-yl]methanol
CID 15125323
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
CID 87120778
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
9-[4-(bromomethyl)phenyl]acridine
CID 10712694
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
1,3-dihydroimidazole-2-thione;9-phenylacridine
CID 88528417
2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
CID 15125346
2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155318
[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
CID 87095849
4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658

Frequently Asked Questions

What is the IUPAC name of 3H-dioxatrisilole;9-(4-fluorophenyl)acridine?
The IUPAC name of 3H-dioxatrisilole;9-(4-fluorophenyl)acridine (CID 161091415) is 3H-dioxatrisilole;9-(4-fluorophenyl)acridine.
What is the SMILES notation for 3H-dioxatrisilole;9-(4-fluorophenyl)acridine?
The canonical SMILES for 3H-dioxatrisilole;9-(4-fluorophenyl)acridine is Fc1ccc(-c2c3ccccc3nc3ccccc23)cc1.O1O[SiH2][SiH]=[SiH]1.
What is the InChIKey of 3H-dioxatrisilole;9-(4-fluorophenyl)acridine?
The InChIKey is UHFNYOJXGFYHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN.H4O2Si3/c20-14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19;1-2-4-5-3-1/h1-12H;3,5H,4H2.
What are the key properties of 3H-dioxatrisilole;9-(4-fluorophenyl)acridine?
3H-dioxatrisilole;9-(4-fluorophenyl)acridine has a molecular weight of 393.60 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-dioxatrisilole;9-(4-fluorophenyl)acridine is sourced from PubChem (CID 161091415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).