tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide

C48H60BF16Si4- — CID 11829299

IUPACtetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide
SMILESCC(C)(C)[Si](C)(C)c1c(F)c(F)c([B-](c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)(c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C48H60BF16Si4/c1-45(2,3)66(13,14)41-33(58)25(50)21(26(51)34(41)59)49(22-27(52)35(60)42(36(61)28(22)53)67(15,16)46(4,5)6,23-29(54)37(62)43(38(63)30(23)55)68(17,18)47(7,8)9)24-31(56)39(64)44(40(65)32(24)57)69(19,20)48(10,11)12/h1-20H3/q-1
InChIKeyQCXOQNVYMPZTHJ-UHFFFAOYSA-N
MW1064.13 g/mol
LogP12.15
Rot. Bonds8

About tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide

tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide (PubChem CID 11829299) has the molecular formula C48H60BF16Si4- and a molecular weight of 1064.13 g/mol. Its IUPAC name is tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide.

Molecular Properties

Compound Nametetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide
PubChem CID11829299
Molecular FormulaC48H60BF16Si4-
Molecular Weight1064.13 g/mol
Exact Mass1063.36
IUPAC Nametetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide
SMILESCC(C)(C)[Si](C)(C)c1c(F)c(F)c([B-](c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)(c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C48H60BF16Si4/c1-45(2,3)66(13,14)41-33(58)25(50)21(26(51)34(41)59)49(22-27(52)35(60)42(36(61)28(22)53)67(15,16)46(4,5)6,23-29(54)37(62)43(38(63)30(23)55)68(17,18)47(7,8)9)24-31(56)39(64)44(40(65)32(24)57)69(19,20)48(10,11)12/h1-20H3/q-1
InChIKeyQCXOQNVYMPZTHJ-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.13
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide?
The IUPAC name of tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide (CID 11829299) is tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide.
What is the SMILES notation for tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide?
The canonical SMILES for tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide is CC(C)(C)[Si](C)(C)c1c(F)c(F)c([B-](c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)(c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)c2c(F)c(F)c([Si](C)(C)C(C)(C)C)c(F)c2F)c(F)c1F.
What is the InChIKey of tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide?
The InChIKey is QCXOQNVYMPZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60BF16Si4/c1-45(2,3)66(13,14)41-33(58)25(50)21(26(51)34(41)59)49(22-27(52)35(60)42(36(61)28(22)53)67(15,16)46(4,5)6,23-29(54)37(62)43(38(63)30(23)55)68(17,18)47(7,8)9)24-31(56)39(64)44(40(65)32(24)57)69(19,20)48(10,11)12/h1-20H3/q-1.
What are the key properties of tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide?
tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide has a molecular weight of 1064.13 g/mol, XLogP of 12.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[4-[tert-butyl(dimethyl)silyl]-2,3,5,6-tetrafluorophenyl]boranuide is sourced from PubChem (CID 11829299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).