14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene

C26H25BN3+ — CID 166589316

IUPAC14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene
SMILESCc1cccc2c1B1N(c3ccccc3CC2)c2cccc(C)c2-c2n(C)cc[n+]21
InChIInChI=1S/C26H25BN3/c1-18-8-7-13-23-24(18)26-28(3)16-17-29(26)27-25-19(2)9-6-11-21(25)15-14-20-10-4-5-12-22(20)30(23)27/h4-13,16-17H,14-15H2,1-3H3/q+1
InChIKeyTTYFPZBMODRKHT-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.09
Rot. Bonds

About 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene

14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene (PubChem CID 166589316) has the molecular formula C26H25BN3+ and a molecular weight of 390.32 g/mol. Its IUPAC name is 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene.

Molecular Properties

Compound Name14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene
PubChem CID166589316
Molecular FormulaC26H25BN3+
Molecular Weight390.32 g/mol
Exact Mass390.21
IUPAC Name14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene
SMILESCc1cccc2c1B1N(c3ccccc3CC2)c2cccc(C)c2-c2n(C)cc[n+]21
InChIInChI=1S/C26H25BN3/c1-18-8-7-13-23-24(18)26-28(3)16-17-29(26)27-25-19(2)9-6-11-21(25)15-14-20-10-4-5-12-22(20)30(23)27/h4-13,16-17H,14-15H2,1-3H3/q+1
InChIKeyTTYFPZBMODRKHT-UHFFFAOYSA-N
XLogP4.09
TPSA12.05 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene 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

5-[2,6-di(propan-2-yl)phenyl]-1,10-dimethyl-6-phenylimidazo[1,2-c][1,3,2]benzodiazaborinin-4-ium
CID 155791450
5-[2,6-di(propan-2-yl)phenyl]-1,10-dimethyl-6-(2-methyl-6-propan-2-ylphenyl)imidazo[1,2-c][1,3,2]benzodiazaborinin-4-ium
CID 167354028
5,8,20,20-tetramethyl-5,13-diaza-2-azonia-1-borapentacyclo[11.9.0.02,6.07,12.014,19]docosa-2(6),3,7,9,11,14,16,18-octaene
CID 166589203
5,8,16,16-tetramethyl-5,13-diaza-2-azonia-1-boratetracyclo[11.7.0.02,6.07,12]icosa-2(6),3,7,9,11-pentaene
CID 166589253
2,4,6-tris(2,6-dimethylphenyl)-1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
CID 140908098
3-methyl-4,5-dihydropyrazolo[1,5-a]quinoline
CID 59030814
4,10-dimethyl-9H-acridine
CID 159483382
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
CID 158292360
1,3-bis(2,6-dimethylphenyl)-1,3,2-benzodiazaborol-2-amine
CID 177454514
CID 119078430
CID 119078430
1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine
CID 59165034

Frequently Asked Questions

What is the IUPAC name of 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene?
The IUPAC name of 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene (CID 166589316) is 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene.
What is the SMILES notation for 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene?
The canonical SMILES for 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene is Cc1cccc2c1B1N(c3ccccc3CC2)c2cccc(C)c2-c2n(C)cc[n+]21.
What is the InChIKey of 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene?
The InChIKey is TTYFPZBMODRKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BN3/c1-18-8-7-13-23-24(18)26-28(3)16-17-29(26)27-25-19(2)9-6-11-21(25)15-14-20-10-4-5-12-22(20)30(23)27/h4-13,16-17H,14-15H2,1-3H3/q+1.
What are the key properties of 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene?
14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene has a molecular weight of 390.32 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,20,23-trimethyl-1,20-diaza-17-azonia-16-borahexacyclo[14.11.0.02,7.010,15.017,21.022,27]heptacosa-2,4,6,10,12,14,17(21),18,22,24,26-undecaene is sourced from PubChem (CID 166589316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).