11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene

C22H17N4+ — CID 157260685

IUPAC11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene
SMILESC[n+]1c2n(c3c4cnccc4n(-c4ccccc4)c31)Cc1ccccc1-2
InChIInChI=1S/C22H17N4/c1-24-21-17-10-6-5-7-15(17)14-25(21)20-18-13-23-12-11-19(18)26(22(20)24)16-8-3-2-4-9-16/h2-13H,14H2,1H3/q+1
InChIKeyYNJQTSQPILXKDI-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.83
Rot. Bonds1

About 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene

11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene (PubChem CID 157260685) has the molecular formula C22H17N4+ and a molecular weight of 337.41 g/mol. Its IUPAC name is 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene.

Molecular Properties

Compound Name11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene
PubChem CID157260685
Molecular FormulaC22H17N4+
Molecular Weight337.41 g/mol
Exact Mass337.14
IUPAC Name11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene
SMILESC[n+]1c2n(c3c4cnccc4n(-c4ccccc4)c31)Cc1ccccc1-2
InChIInChI=1S/C22H17N4/c1-24-21-17-10-6-5-7-15(17)14-25(21)20-18-13-23-12-11-19(18)26(22(20)24)16-8-3-2-4-9-16/h2-13H,14H2,1H3/q+1
InChIKeyYNJQTSQPILXKDI-UHFFFAOYSA-N
XLogP3.83
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene 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

11-methyl-9-phenyl-1,7,9,17-tetraza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene
CID 159361019
11-methyl-3-phenyl-3,11,16-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 158735831
3-phenyl-1,3,7-triaza-10-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,11,13,15,17-octaene
CID 162028144
9,11-diphenyl-5,9,11,15-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3(8),4,6,13(18),14,16-octaene
CID 161028085
3-phenyl-1,3,6-triaza-10-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,11,13,15,17-octaene
CID 160937442
3-methyl-11-thia-10,15-diaza-1,3-diazoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,4,6,8,13(18),14,16-octaene;9-phenyl-11-(trideuteriomethyl)-1,9,15-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3,5,7,11,13(18),14,16-octaene;11-(trideuteriomethyl)-9-oxa-1,15-diaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3,5,7,11,13(18),14,16-octaene;11-(trideuteriomethyl)-9-thia-1,15-diaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3,5,7,11,13(18),14,16-octaene;3-(trideuteriomethyl)-11-thia-10,15-diaza-1,3-diazoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,4,6,8,13(18),14,16-octaene
CID 160702880
3-phenyl-11-oxa-3,7,16-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene
CID 157079053
3-bromo-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium
CID 21204212
9,11-bis(trideuteriomethyl)-1,7,9,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene;11-methyl-9-thia-1,7,15-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene;9-methyl-11-(trideuteriomethyl)-1,7,9,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene;9-phenyl-11-(trideuteriomethyl)-1,7,9,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene;11-(trideuteriomethyl)-9-oxa-1,7,15-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene
CID 159471092
11-phenyl-9-thia-5,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3(8),4,6,13,15,17-octaene
CID 159969889
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348

Frequently Asked Questions

What is the IUPAC name of 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene?
The IUPAC name of 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene (CID 157260685) is 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene.
What is the SMILES notation for 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene?
The canonical SMILES for 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene is C[n+]1c2n(c3c4cnccc4n(-c4ccccc4)c31)Cc1ccccc1-2.
What is the InChIKey of 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene?
The InChIKey is YNJQTSQPILXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N4/c1-24-21-17-10-6-5-7-15(17)14-25(21)20-18-13-23-12-11-19(18)26(22(20)24)16-8-3-2-4-9-16/h2-13H,14H2,1H3/q+1.
What are the key properties of 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene?
11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene has a molecular weight of 337.41 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-9-phenyl-1,5,9-triaza-11-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13,15,17-octaene is sourced from PubChem (CID 157260685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).