trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane

C43H52BF3N2OSi4 — CID 148669078

IUPACtrimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(N2c3cc([Si](C)(C)C)ccc3B3c4ccc([Si](C)(C)C)cc4N(c4ccc([Si](C)(C)C)cc4)c4cc(OC(F)(F)F)cc2c43)cc1
InChIInChI=1S/C43H52BF3N2OSi4/c1-51(2,3)32-17-13-29(14-18-32)48-38-27-34(53(7,8)9)21-23-36(38)44-37-24-22-35(54(10,11)12)28-39(37)49(30-15-19-33(20-16-30)52(4,5)6)41-26-31(50-43(45,46)47)25-40(48)42(41)44/h13-28H,1-12H3
InChIKeyNPIJXQGZIDHGMT-UHFFFAOYSA-N
MW793.05 g/mol
LogP8.85
Rot. Bonds7

About trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane

trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane (PubChem CID 148669078) has the molecular formula C43H52BF3N2OSi4 and a molecular weight of 793.05 g/mol. Its IUPAC name is trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane
PubChem CID148669078
Molecular FormulaC43H52BF3N2OSi4
Molecular Weight793.05 g/mol
Exact Mass792.32
IUPAC Nametrimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(N2c3cc([Si](C)(C)C)ccc3B3c4ccc([Si](C)(C)C)cc4N(c4ccc([Si](C)(C)C)cc4)c4cc(OC(F)(F)F)cc2c43)cc1
InChIInChI=1S/C43H52BF3N2OSi4/c1-51(2,3)32-17-13-29(14-18-32)48-38-27-34(53(7,8)9)21-23-36(38)44-37-24-22-35(54(10,11)12)28-39(37)49(30-15-19-33(20-16-30)52(4,5)6)41-26-31(50-43(45,46)47)25-40(48)42(41)44/h13-28H,1-12H3
InChIKeyNPIJXQGZIDHGMT-UHFFFAOYSA-N
XLogP8.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.05
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane?
The IUPAC name of trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane (CID 148669078) is trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane is C[Si](C)(C)c1ccc(N2c3cc([Si](C)(C)C)ccc3B3c4ccc([Si](C)(C)C)cc4N(c4ccc([Si](C)(C)C)cc4)c4cc(OC(F)(F)F)cc2c43)cc1.
What is the InChIKey of trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane?
The InChIKey is NPIJXQGZIDHGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52BF3N2OSi4/c1-51(2,3)32-17-13-29(14-18-32)48-38-27-34(53(7,8)9)21-23-36(38)44-37-24-22-35(54(10,11)12)28-39(37)49(30-15-19-33(20-16-30)52(4,5)6)41-26-31(50-43(45,46)47)25-40(48)42(41)44/h13-28H,1-12H3.
What are the key properties of trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane?
trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane has a molecular weight of 793.05 g/mol, XLogP of 8.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[11-(trifluoromethoxy)-5,17-bis(trimethylsilyl)-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]silane is sourced from PubChem (CID 148669078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).