14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

C21H15N2Se+ — CID 167427527

IUPAC14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
SMILESC[n+]1ccc2c([se]c3c4ccncc4ccc23)c1-c1ccccc1
InChIInChI=1S/C21H15N2Se/c1-23-12-10-18-17-8-7-15-13-22-11-9-16(15)20(17)24-21(18)19(23)14-5-3-2-4-6-14/h2-13H,1H3/q+1
InChIKeyJAZKATJQCIQENT-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.09
Rot. Bonds1

About 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (PubChem CID 167427527) has the molecular formula C21H15N2Se+ and a molecular weight of 374.33 g/mol. Its IUPAC name is 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.

Molecular Properties

Compound Name14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
PubChem CID167427527
Molecular FormulaC21H15N2Se+
Molecular Weight374.33 g/mol
Exact Mass375.04
IUPAC Name14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
SMILESC[n+]1ccc2c([se]c3c4ccncc4ccc23)c1-c1ccccc1
InChIInChI=1S/C21H15N2Se/c1-23-12-10-18-17-8-7-15-13-22-11-9-16(15)20(17)24-21(18)19(23)14-5-3-2-4-6-14/h2-13H,1H3/q+1
InChIKeyJAZKATJQCIQENT-UHFFFAOYSA-N
XLogP4.09
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene with MolForge

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Related Compounds

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CID 167427603
2-phenyl-1H-pyrrolo[2,3-f]isoquinoline-3-carbaldehyde
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6-ethyl-5-fluoroisoquinoline
CID 67950448
(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane
CID 164722905
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
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11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575326
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
6-pyridin-3-ylisoquinolin-5-amine
CID 82583202
benzo[f]isoquinolin-8-amine
CID 101109295

Frequently Asked Questions

What is the IUPAC name of 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The IUPAC name of 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (CID 167427527) is 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.
What is the SMILES notation for 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The canonical SMILES for 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is C[n+]1ccc2c([se]c3c4ccncc4ccc23)c1-c1ccccc1.
What is the InChIKey of 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The InChIKey is JAZKATJQCIQENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N2Se/c1-23-12-10-18-17-8-7-15-13-22-11-9-16(15)20(17)24-21(18)19(23)14-5-3-2-4-6-14/h2-13H,1H3/q+1.
What are the key properties of 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene has a molecular weight of 374.33 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is sourced from PubChem (CID 167427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).