chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane

C63H46BCl6NO3Si2 — CID 139101960

About chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane

chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane (PubChem CID 139101960) has the molecular formula C63H46BCl6NO3Si2 and a molecular weight of 1144.77 g/mol. Its IUPAC name is chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane.

Molecular Properties

• Compound Name: chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane
• PubChem CID: 139101960
• Molecular Formula: C63H46BCl6NO3Si2
• Molecular Weight: 1144.77 g/mol
• Exact Mass: 1141.12
• IUPAC Name: chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.O[B-]12Oc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc4ccccc4c3-c3cccc([n+]31)-c1c(c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc13)O2
• InChI: InChI=1S/C61H44BNO3Si2.2CHCl3/c64-62-63-54(58-52-38-21-19-24-44(52)42-56(60(58)65-62)67(46-26-7-1-8-27-46,47-28-9-2-10-29-47)48-30-11-3-12-31-48)40-23-41-55(63)59-53-39-22-20-25-45(53)43-57(61(59)66-62)68(49-32-13-4-14-33-49,50-34-15-5-16-35-50)51-36-17-6-18-37-51;2*2-1(3)4/h1-43,64H;2*1H
• InChIKey: JQUSOIXJJHRIAU-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 42.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.77
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane?

The IUPAC name of chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane (CID 139101960) is chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane.

What is the SMILES notation for chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane?

The canonical SMILES for chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane is ClC(Cl)Cl.ClC(Cl)Cl.O[B-]12Oc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc4ccccc4c3-c3cccc([n+]31)-c1c(c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc13)O2.

What is the InChIKey of chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane?

The InChIKey is JQUSOIXJJHRIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44BNO3Si2.2CHCl3/c64-62-63-54(58-52-38-21-19-24-44(52)42-56(60(58)65-62)67(46-26-7-1-8-27-46,47-28-9-2-10-29-47)48-30-11-3-12-31-48)40-23-41-55(63)59-53-39-22-20-25-45(53)43-57(61(59)66-62)68(49-32-13-4-14-33-49,50-34-15-5-16-35-50)51-36-17-6-18-37-51;2*2-1(3)4/h1-43,64H;2*1H.

What are the key properties of chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane?

chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane has a molecular weight of 1144.77 g/mol, XLogP of 11.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;(1-hydroxy-26-triphenylsilyl-2,28-dioxa-29-azonia-1-boranuidaheptacyclo[15.11.1.03,12.06,11.013,29.018,27.019,24]nonacosa-3(12),4,6,8,10,13(29),14,16,18(27),19,21,23,25-tridecaen-4-yl)-triphenylsilane is sourced from PubChem (CID 139101960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).