9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium

C25H17FN+ — CID 71813207

IUPAC9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium
SMILESFc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1ccccc21
InChIInChI=1S/C25H17FN/c26-20-14-15-21-22(17-20)24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)27-16-8-7-13-23(21)27/h1-17H/q+1
InChIKeyRJRDXWNUCIBGKP-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.05
Rot. Bonds2

About 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium

9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium (PubChem CID 71813207) has the molecular formula C25H17FN+ and a molecular weight of 350.42 g/mol. Its IUPAC name is 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium
PubChem CID71813207
Molecular FormulaC25H17FN+
Molecular Weight350.42 g/mol
Exact Mass350.13
IUPAC Name9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium
SMILESFc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1ccccc21
InChIInChI=1S/C25H17FN/c26-20-14-15-21-22(17-20)24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)27-16-8-7-13-23(21)27/h1-17H/q+1
InChIKeyRJRDXWNUCIBGKP-UHFFFAOYSA-N
XLogP6.05
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium
CID 102219187
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 163600910
2,3,6-trifluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87425803
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
6-fluoro-2,3,9,10-tetraphenyl-15-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 132561638
7-fluoro-4-(4-fluorophenyl)-1-phenyl-2-propan-2-ylnaphthalene
CID 71425194
2-fluorotriphenylene
CID 23233895
1,3,6,7-tetraphenylbenzo[a]quinolizin-5-ium
CID 177460188
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
8,9-diphenyl-1-aza-7-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene tetrafluoroborate
CID 162407908
[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane
CID 175626259

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium?
The IUPAC name of 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium (CID 71813207) is 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium is Fc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1ccccc21.
What is the InChIKey of 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium?
The InChIKey is RJRDXWNUCIBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN/c26-20-14-15-21-22(17-20)24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)27-16-8-7-13-23(21)27/h1-17H/q+1.
What are the key properties of 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium?
9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium has a molecular weight of 350.42 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 71813207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).