[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane

C48H69F6N3O3Si3 — CID 177453347

IUPAC[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(F)c(-c2nc(-c3cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3F)nc(-c3cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3F)n2)cc1F)(C(C)C)C(C)C
InChIInChI=1S/C48H69F6N3O3Si3/c1-25(2)61(26(3)4,27(5)6)58-43-22-37(49)34(19-40(43)52)46-55-47(35-20-41(53)44(23-38(35)50)59-62(28(7)8,29(9)10)30(11)12)57-48(56-46)36-21-42(54)45(24-39(36)51)60-63(31(13)14,32(15)16)33(17)18/h19-33H,1-18H3
InChIKeyLXVWTZQIAIWENC-UHFFFAOYSA-N
MW934.34 g/mol
LogP16.37
Rot. Bonds18

About [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane

[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane (PubChem CID 177453347) has the molecular formula C48H69F6N3O3Si3 and a molecular weight of 934.34 g/mol. Its IUPAC name is [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane
PubChem CID177453347
Molecular FormulaC48H69F6N3O3Si3
Molecular Weight934.34 g/mol
Exact Mass933.46
IUPAC Name[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(F)c(-c2nc(-c3cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3F)nc(-c3cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3F)n2)cc1F)(C(C)C)C(C)C
InChIInChI=1S/C48H69F6N3O3Si3/c1-25(2)61(26(3)4,27(5)6)58-43-22-37(49)34(19-40(43)52)46-55-47(35-20-41(53)44(23-38(35)50)59-62(28(7)8,29(9)10)30(11)12)57-48(56-46)36-21-42(54)45(24-39(36)51)60-63(31(13)14,32(15)16)33(17)18/h19-33H,1-18H3
InChIKeyLXVWTZQIAIWENC-UHFFFAOYSA-N
XLogP16.37
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.34
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane with MolForge

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Related Compounds

1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine
CID 175729413
1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
CID 70979667
(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane
CID 140729300
(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
CID 173235389
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
CID 173235319
2,6-difluoro-3-methyl-5-tri(propan-2-yl)silyloxybenzoic acid
CID 89443690
2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 115503226
2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
CID 131736006
4-(2,5-difluoro-4-methoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967804
2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol
CID 116889694
1,4-diethoxy-2,5-difluorobenzene
CID 58718970

Frequently Asked Questions

What is the IUPAC name of [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane (CID 177453347) is [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1cc(F)c(-c2nc(-c3cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3F)nc(-c3cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3F)n2)cc1F)(C(C)C)C(C)C.
What is the InChIKey of [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane?
The InChIKey is LXVWTZQIAIWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H69F6N3O3Si3/c1-25(2)61(26(3)4,27(5)6)58-43-22-37(49)34(19-40(43)52)46-55-47(35-20-41(53)44(23-38(35)50)59-62(28(7)8,29(9)10)30(11)12)57-48(56-46)36-21-42(54)45(24-39(36)51)60-63(31(13)14,32(15)16)33(17)18/h19-33H,1-18H3.
What are the key properties of [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane?
[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane has a molecular weight of 934.34 g/mol, XLogP of 16.37, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 177453347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).