N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline

C65H83BN2Si2 — CID 102591303

IUPACN-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline
SMILESCC(C)c1cc(C(C)C)c(B(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc([Si](C)(C)C)cc3)cc2)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc([Si](C)(C)C)cc3)cc2)c(C(C)C)c1
InChIInChI=1S/C65H83BN2Si2/c1-45(2)48-43-61(46(3)4)63(62(44-48)47(5)6)66(51-23-31-55(32-24-51)67(53-27-19-49(20-28-53)64(7,8)9)57-35-39-59(40-36-57)69(13,14)15)52-25-33-56(34-26-52)68(54-29-21-50(22-30-54)65(10,11)12)58-37-41-60(42-38-58)70(16,17)18/h19-47H,1-18H3
InChIKeyJEXHIPCDOMUFDF-UHFFFAOYSA-N
MW959.38 g/mol
LogP16.20
Rot. Bonds14

About N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline

N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline (PubChem CID 102591303) has the molecular formula C65H83BN2Si2 and a molecular weight of 959.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline
PubChem CID102591303
Molecular FormulaC65H83BN2Si2
Molecular Weight959.38 g/mol
Exact Mass958.62
IUPAC NameN-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline
SMILESCC(C)c1cc(C(C)C)c(B(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc([Si](C)(C)C)cc3)cc2)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc([Si](C)(C)C)cc3)cc2)c(C(C)C)c1
InChIInChI=1S/C65H83BN2Si2/c1-45(2)48-43-61(46(3)4)63(62(44-48)47(5)6)66(51-23-31-55(32-24-51)67(53-27-19-49(20-28-53)64(7,8)9)57-35-39-59(40-36-57)69(13,14)15)52-25-33-56(34-26-52)68(54-29-21-50(22-30-54)65(10,11)12)58-37-41-60(42-38-58)70(16,17)18/h19-47H,1-18H3
InChIKeyJEXHIPCDOMUFDF-UHFFFAOYSA-N
XLogP16.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.38
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline (CID 102591303) is N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline is CC(C)c1cc(C(C)C)c(B(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc([Si](C)(C)C)cc3)cc2)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc([Si](C)(C)C)cc3)cc2)c(C(C)C)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline?
The InChIKey is JEXHIPCDOMUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H83BN2Si2/c1-45(2)48-43-61(46(3)4)63(62(44-48)47(5)6)66(51-23-31-55(32-24-51)67(53-27-19-49(20-28-53)64(7,8)9)57-35-39-59(40-36-57)69(13,14)15)52-25-33-56(34-26-52)68(54-29-21-50(22-30-54)65(10,11)12)58-37-41-60(42-38-58)70(16,17)18/h19-47H,1-18H3.
What are the key properties of N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline?
N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline has a molecular weight of 959.38 g/mol, XLogP of 16.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline is sourced from PubChem (CID 102591303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).