3-phenylbenzo[a]quinolizin-5-ium

C19H14N+ — CID 123381909

IUPAC3-phenylbenzo[a]quinolizin-5-ium
SMILESc1ccc(-c2ccc3c4ccccc4cc[n+]3c2)cc1
InChIInChI=1S/C19H14N/c1-2-6-15(7-3-1)17-10-11-19-18-9-5-4-8-16(18)12-13-20(19)14-17/h1-14H/q+1
InChIKeyUUHMJFCCNGNMMN-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.25
Rot. Bonds1

About 3-phenylbenzo[a]quinolizin-5-ium

3-phenylbenzo[a]quinolizin-5-ium (PubChem CID 123381909) has the molecular formula C19H14N+ and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-phenylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name3-phenylbenzo[a]quinolizin-5-ium
PubChem CID123381909
Molecular FormulaC19H14N+
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name3-phenylbenzo[a]quinolizin-5-ium
SMILESc1ccc(-c2ccc3c4ccccc4cc[n+]3c2)cc1
InChIInChI=1S/C19H14N/c1-2-6-15(7-3-1)17-10-11-19-18-9-5-4-8-16(18)12-13-20(19)14-17/h1-14H/q+1
InChIKeyUUHMJFCCNGNMMN-UHFFFAOYSA-N
XLogP4.25
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.25
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

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2-oxido-1-phenylisoquinolin-2-ium
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11-azoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
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Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzo[a]quinolizin-5-ium?
The IUPAC name of 3-phenylbenzo[a]quinolizin-5-ium (CID 123381909) is 3-phenylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 3-phenylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 3-phenylbenzo[a]quinolizin-5-ium is c1ccc(-c2ccc3c4ccccc4cc[n+]3c2)cc1.
What is the InChIKey of 3-phenylbenzo[a]quinolizin-5-ium?
The InChIKey is UUHMJFCCNGNMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N/c1-2-6-15(7-3-1)17-10-11-19-18-9-5-4-8-16(18)12-13-20(19)14-17/h1-14H/q+1.
What are the key properties of 3-phenylbenzo[a]quinolizin-5-ium?
3-phenylbenzo[a]quinolizin-5-ium has a molecular weight of 256.33 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 123381909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).