9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene

C24H24BNO2 — CID 170567858

About 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene

9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene (PubChem CID 170567858) has the molecular formula C24H24BNO2 and a molecular weight of 369.27 g/mol. Its IUPAC name is 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene.

Molecular Properties

• Compound Name: 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene
• PubChem CID: 170567858
• Molecular Formula: C24H24BNO2
• Molecular Weight: 369.27 g/mol
• Exact Mass: 369.19
• IUPAC Name: 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene
• SMILES: C=Cc1c(C=C)n2c3ccc(B4OC(C)(C)C(C)(C)O4)cc3c3cccc1c32
• InChI: InChI=1S/C24H24BNO2/c1-7-16-17-10-9-11-18-19-14-15(25-27-23(3,4)24(5,6)28-25)12-13-21(19)26(22(17)18)20(16)8-2/h7-14H,1-2H2,3-6H3
• InChIKey: MWNSKTCTERHTDE-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 22.87 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.27
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene?

The IUPAC name of 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene (CID 170567858) is 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene.

What is the SMILES notation for 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene?

The canonical SMILES for 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene is C=Cc1c(C=C)n2c3ccc(B4OC(C)(C)C(C)(C)O4)cc3c3cccc1c32.

What is the InChIKey of 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene?

The InChIKey is MWNSKTCTERHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2/c1-7-16-17-10-9-11-18-19-14-15(25-27-23(3,4)24(5,6)28-25)12-13-21(19)26(22(17)18)20(16)8-2/h7-14H,1-2H2,3-6H3.

What are the key properties of 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene?

9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene has a molecular weight of 369.27 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-bis(ethenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene is sourced from PubChem (CID 170567858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).