tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide

C60H84BF16Si4- — CID 18512541

IUPACtetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide
SMILESCC(C)[Si](c1c(F)c(F)c([B-](c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)(c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C60H84BF16Si4/c1-25(2)78(26(3)4,27(5)6)57-49(70)41(62)37(42(63)50(57)71)61(38-43(64)51(72)58(52(73)44(38)65)79(28(7)8,29(9)10)30(11)12,39-45(66)53(74)59(54(75)46(39)67)80(31(13)14,32(15)16)33(17)18)40-47(68)55(76)60(56(77)48(40)69)81(34(19)20,35(21)22)36(23)24/h25-36H,1-24H3/q-1
InChIKeyXCWILQTXVHWIIG-UHFFFAOYSA-N
MW1232.46 g/mol
LogP16.83
Rot. Bonds20

About tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide

tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide (PubChem CID 18512541) has the molecular formula C60H84BF16Si4- and a molecular weight of 1232.46 g/mol. Its IUPAC name is tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide.

Molecular Properties

Compound Nametetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide
PubChem CID18512541
Molecular FormulaC60H84BF16Si4-
Molecular Weight1232.46 g/mol
Exact Mass1231.55
IUPAC Nametetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide
SMILESCC(C)[Si](c1c(F)c(F)c([B-](c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)(c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C60H84BF16Si4/c1-25(2)78(26(3)4,27(5)6)57-49(70)41(62)37(42(63)50(57)71)61(38-43(64)51(72)58(52(73)44(38)65)79(28(7)8,29(9)10)30(11)12,39-45(66)53(74)59(54(75)46(39)67)80(31(13)14,32(15)16)33(17)18)40-47(68)55(76)60(56(77)48(40)69)81(34(19)20,35(21)22)36(23)24/h25-36H,1-24H3/q-1
InChIKeyXCWILQTXVHWIIG-UHFFFAOYSA-N
XLogP16.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001232.46
LogP ≤ 516.83
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'}

Analyze tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide?
The IUPAC name of tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide (CID 18512541) is tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide.
What is the SMILES notation for tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide?
The canonical SMILES for tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide is CC(C)[Si](c1c(F)c(F)c([B-](c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)(c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)c2c(F)c(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2F)c(F)c1F)(C(C)C)C(C)C.
What is the InChIKey of tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide?
The InChIKey is XCWILQTXVHWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H84BF16Si4/c1-25(2)78(26(3)4,27(5)6)57-49(70)41(62)37(42(63)50(57)71)61(38-43(64)51(72)58(52(73)44(38)65)79(28(7)8,29(9)10)30(11)12,39-45(66)53(74)59(54(75)46(39)67)80(31(13)14,32(15)16)33(17)18)40-47(68)55(76)60(56(77)48(40)69)81(34(19)20,35(21)22)36(23)24/h25-36H,1-24H3/q-1.
What are the key properties of tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide?
tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide has a molecular weight of 1232.46 g/mol, XLogP of 16.83, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)silylphenyl]boranuide is sourced from PubChem (CID 18512541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).