9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline

C29H19FN2 — CID 132608832

IUPAC9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline
SMILESFc1ccc2cc(-c3ccccc3)n3c(-c4ccccc4)c(-c4ccccc4)nc3c2c1
InChIInChI=1S/C29H19FN2/c30-24-17-16-23-18-26(20-10-4-1-5-11-20)32-28(22-14-8-3-9-15-22)27(21-12-6-2-7-13-21)31-29(32)25(23)19-24/h1-19H
InChIKeyKUROIZZECLDPRP-UHFFFAOYSA-N
MW414.48 g/mol
LogP7.63
Rot. Bonds3

About 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline

9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline (PubChem CID 132608832) has the molecular formula C29H19FN2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline
PubChem CID132608832
Molecular FormulaC29H19FN2
Molecular Weight414.48 g/mol
Exact Mass414.15
IUPAC Name9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline
SMILESFc1ccc2cc(-c3ccccc3)n3c(-c4ccccc4)c(-c4ccccc4)nc3c2c1
InChIInChI=1S/C29H19FN2/c30-24-17-16-23-18-26(20-10-4-1-5-11-20)32-28(22-14-8-3-9-15-22)27(21-12-6-2-7-13-21)31-29(32)25(23)19-24/h1-19H
InChIKeyKUROIZZECLDPRP-UHFFFAOYSA-N
XLogP7.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate
CID 137350415
6,8-difluoro-2,3-diphenylimidazo[1,2-a]pyridine
CID 141322176
2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline
CID 169090245
1-(7-fluoro-3-phenylnaphthalen-1-yl)-2-phenylindole
CID 175700035
10-methyl-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 132577859
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58038117
2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine
CID 58038096
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
5-(3,5-dimethoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
CID 139235828
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione
CID 44614507

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline?
The IUPAC name of 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline (CID 132608832) is 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline is Fc1ccc2cc(-c3ccccc3)n3c(-c4ccccc4)c(-c4ccccc4)nc3c2c1.
What is the InChIKey of 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline?
The InChIKey is KUROIZZECLDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN2/c30-24-17-16-23-18-26(20-10-4-1-5-11-20)32-28(22-14-8-3-9-15-22)27(21-12-6-2-7-13-21)31-29(32)25(23)19-24/h1-19H.
What are the key properties of 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline?
9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline has a molecular weight of 414.48 g/mol, XLogP of 7.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,3,5-triphenylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 132608832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).