26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene

C55H35BN2O2Si — CID 174141772

About 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene

26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene (PubChem CID 174141772) has the molecular formula C55H35BN2O2Si and a molecular weight of 794.80 g/mol. Its IUPAC name is 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene.

Molecular Properties

• Compound Name: 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene
• PubChem CID: 174141772
• Molecular Formula: C55H35BN2O2Si
• Molecular Weight: 794.80 g/mol
• Exact Mass: 794.26
• IUPAC Name: 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene
• SMILES: Cc1cccc([Si]2(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3cccc4c5ccccc5n(c34)-c3cc4c5c(c3)Oc3c(cccc32)B5c2ccccc2O4)c1
• InChI: InChI=1S/C55H35BN2O2Si/c1-34-14-11-17-37(30-34)61(36-15-3-2-4-16-36)38-28-29-47-42(33-38)40-19-6-9-24-46(40)58(47)48-25-12-20-41-39-18-5-8-23-45(39)57(54(41)48)35-31-50-53-51(32-35)60-55-44(22-13-27-52(55)61)56(53)43-21-7-10-26-49(43)59-50/h2-33H,1H3
• InChIKey: RCYGIAHSYDXSFQ-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 28.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.80
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene?

The IUPAC name of 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene (CID 174141772) is 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene.

What is the SMILES notation for 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene?

The canonical SMILES for 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene is Cc1cccc([Si]2(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3cccc4c5ccccc5n(c34)-c3cc4c5c(c3)Oc3c(cccc32)B5c2ccccc2O4)c1.

What is the InChIKey of 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene?

The InChIKey is RCYGIAHSYDXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35BN2O2Si/c1-34-14-11-17-37(30-34)61(36-15-3-2-4-16-36)38-28-29-47-42(33-38)40-19-6-9-24-46(40)58(47)48-25-12-20-41-39-18-5-8-23-45(39)57(54(41)48)35-31-50-53-51(32-35)60-55-44(22-13-27-52(55)61)56(53)43-21-7-10-26-49(43)59-50/h2-33H,1H3.

What are the key properties of 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene?

26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene has a molecular weight of 794.80 g/mol, XLogP of 8.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(3-methylphenyl)-26-phenyl-33,43-dioxa-2,14-diaza-26-sila-36-boradodecacyclo[32.11.1.12,9.121,25.03,8.014,22.015,20.027,32.031,36.035,44.037,42.013,48]octatetraconta-1(45),3,5,7,9(48),10,12,15,17,19,21,23,25(47),27,29,31,34(46),35(44),37,39,41-henicosaene is sourced from PubChem (CID 174141772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).