triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane

C43H27BN2O3Si — CID 166586924

About triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane

triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane (PubChem CID 166586924) has the molecular formula C43H27BN2O3Si and a molecular weight of 658.60 g/mol. Its IUPAC name is triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane.

Molecular Properties

• Compound Name: triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane
• PubChem CID: 166586924
• Molecular Formula: C43H27BN2O3Si
• Molecular Weight: 658.60 g/mol
• Exact Mass: 658.19
• IUPAC Name: triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)Oc2c(ccc5c2oc2nc6ccccc6n25)B4c2ccccc2O3)cc1
• InChI: InChI=1S/C43H27BN2O3Si/c1-4-14-28(15-5-1)50(29-16-6-2-7-17-29,30-18-8-3-9-19-30)31-26-38-40-39(27-31)48-41-33(44(40)32-20-10-13-23-37(32)47-38)24-25-36-42(41)49-43-45-34-21-11-12-22-35(34)46(36)43/h1-27H
• InChIKey: BLEZAUSXKLSRIN-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 48.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.60
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane?

The IUPAC name of triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane (CID 166586924) is triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane.

What is the SMILES notation for triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane?

The canonical SMILES for triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)Oc2c(ccc5c2oc2nc6ccccc6n25)B4c2ccccc2O3)cc1.

What is the InChIKey of triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane?

The InChIKey is BLEZAUSXKLSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27BN2O3Si/c1-4-14-28(15-5-1)50(29-16-6-2-7-17-29,30-18-8-3-9-19-30)31-26-38-40-39(27-31)48-41-33(44(40)32-20-10-13-23-37(32)47-38)24-25-36-42(41)49-43-45-34-21-11-12-22-35(34)46(36)43/h1-27H.

What are the key properties of triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane?

triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane has a molecular weight of 658.60 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl(15,18,24-trioxa-6,13-diaza-1-boraoctacyclo[17.11.1.02,17.05,16.06,14.07,12.023,31.025,30]hentriaconta-2(17),3,5(16),7,9,11,13,19,21,23(31),25,27,29-tridecaen-21-yl)silane is sourced from PubChem (CID 166586924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).