6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate

C14H12F6NP — CID 19381116

IUPAC6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate
SMILESCc1c2ccccc2cc2cccc[n+]12.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H12N.F6P/c1-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(11)13;1-7(2,3,4,5)6/h2-10H,1H3;/q+1;-1
InChIKeyUSNTYDKDUBBBFZ-UHFFFAOYSA-N
MW339.22 g/mol
LogP6.27
Rot. Bonds

About 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate

6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate (PubChem CID 19381116) has the molecular formula C14H12F6NP and a molecular weight of 339.22 g/mol. Its IUPAC name is 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate.

Molecular Properties

Compound Name6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate
PubChem CID19381116
Molecular FormulaC14H12F6NP
Molecular Weight339.22 g/mol
Exact Mass339.06
IUPAC Name6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate
SMILESCc1c2ccccc2cc2cccc[n+]12.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H12N.F6P/c1-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(11)13;1-7(2,3,4,5)6/h2-10H,1H3;/q+1;-1
InChIKeyUSNTYDKDUBBBFZ-UHFFFAOYSA-N
XLogP6.27
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

benzo[b]quinolizin-5-ium-6-carbonitrile perchlorate
CID 19047539
10-propan-2-yloxybenzo[b]quinolizin-5-ium hexafluorophosphate
CID 19047502
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
6-benzo[c]quinolizin-11-ium-6-ylbenzo[c]quinolizin-11-ium
CID 102442616
benzo[c]quinolizin-11-ium-6-ol;ethane
CID 142839036
ethane;9-methylanthracene;naphthalene
CID 161226057
lithium;hydride;9-methylanthracene
CID 174773747
5,21,28,44-tetrazoniaundecacyclo[42.2.2.22,5.221,24.225,28.16,10.111,15.116,20.129,33.134,38.139,43]hexaconta-1(46),2(60),3,5(59),6,8,10(58),11(57),12,14,16(56),17,19,21(55),22,24(54),25,27,29,31,33(51),34,36,38(50),39(49),40,42,44,47,52-triacontaene tetrahexafluorophosphate
CID 139193605
4,21-diazoniapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene iodide
CID 54611068
benzo[c]quinolizin-11-ium-6-amine;hydrochloride
CID 22987948
4-methylquinolizin-5-ium bromide
CID 163564442

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate?
The IUPAC name of 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate (CID 19381116) is 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate.
What is the SMILES notation for 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate?
The canonical SMILES for 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate is Cc1c2ccccc2cc2cccc[n+]12.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate?
The InChIKey is USNTYDKDUBBBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N.F6P/c1-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(11)13;1-7(2,3,4,5)6/h2-10H,1H3;/q+1;-1.
What are the key properties of 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate?
6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate has a molecular weight of 339.22 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[b]quinolizin-5-ium hexafluorophosphate is sourced from PubChem (CID 19381116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).