2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)

C166H255B12N10O2S2Y12-21 — CID 157194724

About 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)

2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium) (PubChem CID 157194724) has the molecular formula C166H255B12N10O2S2Y12-21 and a molecular weight of 3683.68 g/mol. Its IUPAC name is 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium).

Molecular Properties

• Compound Name: 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)
• PubChem CID: 157194724
• Molecular Formula: C166H255B12N10O2S2Y12-21
• Molecular Weight: 3683.68 g/mol
• Exact Mass: 3683.95
• IUPAC Name: 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1[c-]c2cccbc2[nH]1.CC(C)(C)c1[c-]c2cccbc2o1.CC(C)(C)c1[c-]c2cccbc2s1.CC(C)(C)c1c[n-]c2bcccc12.CC(C)(C)c1cc2cccbc2[n-]1.CC(C)(C)c1nc2cccbc2[n-]1.CC(C)(C)n1[c-]cc2cccbc21.CC(C)(C)n1[c-]nc2cccbc21.CC(C)(C)n1c[c-]c2cccbc21.[CH2-]c1[nH]c2bcccc2c1C(C)(C)C.[CH2-]c1oc2bcccc2c1C(C)(C)C.[CH2-]c1sc2bcccc2c1C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C12H15BN.C12H14BO.C12H14BS.5C11H13BN.C11H12BO.C11H12BS.2C10H12BN2.12C2H6.9CH3.12Y/c3*1-8-10(12(2,3)4)9-6-5-7-13-11(9)14-8;2*1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;4*1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;12*1-2;;;;;;;;;;;;;;;;;;;;;/h5-7,14H,1H2,2-4H3;2*5-7H,1H2,2-4H3;4-5,7-8H,1-3H3;2*4-7H,1-3H3;4-6,13H,1-3H3;4-7H,1-3H3;4*4-6H,1-3H3;12*1-2H3;9*1H3;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;9*-1
• InChIKey: DDKXHOHMHWMLEJ-UHFFFAOYSA-N
• XLogP: 48.79
• TPSA: 140.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3683.68
LogP ≤ 5	48.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)?

The IUPAC name of 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium) (CID 157194724) is 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium).

What is the SMILES notation for 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)?

The canonical SMILES for 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1[c-]c2cccbc2[nH]1.CC(C)(C)c1[c-]c2cccbc2o1.CC(C)(C)c1[c-]c2cccbc2s1.CC(C)(C)c1c[n-]c2bcccc12.CC(C)(C)c1cc2cccbc2[n-]1.CC(C)(C)c1nc2cccbc2[n-]1.CC(C)(C)n1[c-]cc2cccbc21.CC(C)(C)n1[c-]nc2cccbc21.CC(C)(C)n1c[c-]c2cccbc21.[CH2-]c1[nH]c2bcccc2c1C(C)(C)C.[CH2-]c1oc2bcccc2c1C(C)(C)C.[CH2-]c1sc2bcccc2c1C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)?

The InChIKey is DDKXHOHMHWMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN.C12H14BO.C12H14BS.5C11H13BN.C11H12BO.C11H12BS.2C10H12BN2.12C2H6.9CH3.12Y/c3*1-8-10(12(2,3)4)9-6-5-7-13-11(9)14-8;2*1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;4*1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;12*1-2;;;;;;;;;;;;;;;;;;;;;/h5-7,14H,1H2,2-4H3;2*5-7H,1H2,2-4H3;4-5,7-8H,1-3H3;2*4-7H,1-3H3;4-6,13H,1-3H3;4-7H,1-3H3;4*4-6H,1-3H3;12*1-2H3;9*1H3;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;9*-1;;;;;;;;;;;;.

What are the key properties of 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)?

2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium) has a molecular weight of 3683.68 g/mol, XLogP of 48.79, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium) is sourced from PubChem (CID 157194724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).