tripotassium;tetracene;borate

C18H12BK3O3 — CID 158896601

IUPACtripotassium;tetracene;borate
SMILES[K+].[K+].[K+].[O-]B([O-])[O-].c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12.BO3.3K/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;2-1(3)4;;;/h1-12H;;;;/q;-3;3*+1
InChIKeyJEXGTYZIDROTBQ-UHFFFAOYSA-N
MW404.40 g/mol
LogP-7.79
Rot. Bonds

About tripotassium;tetracene;borate

tripotassium;tetracene;borate (PubChem CID 158896601) has the molecular formula C18H12BK3O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is tripotassium;tetracene;borate.

Molecular Properties

Compound Nametripotassium;tetracene;borate
PubChem CID158896601
Molecular FormulaC18H12BK3O3
Molecular Weight404.40 g/mol
Exact Mass403.98
IUPAC Nametripotassium;tetracene;borate
SMILES[K+].[K+].[K+].[O-]B([O-])[O-].c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12.BO3.3K/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;2-1(3)4;;;/h1-12H;;;;/q;-3;3*+1
InChIKeyJEXGTYZIDROTBQ-UHFFFAOYSA-N
XLogP-7.79
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 5-7.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tripotassium;tetracene;borate 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

dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
gold;pentacene
CID 162013118
ethane;pentacene
CID 91470616
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
sodium;anthracene;hydride
CID 173035649
anthracene;benzene;naphthalene
CID 142706236
tetrakis(methanediimine);tetracene
CID 175029829
2,3-dinitrohexacene
CID 101108857
anthracene;ethane;naphthalene
CID 159079166

Frequently Asked Questions

What is the IUPAC name of tripotassium;tetracene;borate?
The IUPAC name of tripotassium;tetracene;borate (CID 158896601) is tripotassium;tetracene;borate.
What is the SMILES notation for tripotassium;tetracene;borate?
The canonical SMILES for tripotassium;tetracene;borate is [K+].[K+].[K+].[O-]B([O-])[O-].c1ccc2cc3cc4ccccc4cc3cc2c1.
What is the InChIKey of tripotassium;tetracene;borate?
The InChIKey is JEXGTYZIDROTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.BO3.3K/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;2-1(3)4;;;/h1-12H;;;;/q;-3;3*+1.
What are the key properties of tripotassium;tetracene;borate?
tripotassium;tetracene;borate has a molecular weight of 404.40 g/mol, XLogP of -7.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;tetracene;borate is sourced from PubChem (CID 158896601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).