[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane

C54H76N4Si2 — CID 123917135

IUPAC[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1=[SiH][SiH2]C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C54H76N4Si2/c1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16/h17-40,53,60H,59H2,1-16H3
InChIKeySLRORKJNZLADAK-UHFFFAOYSA-N
MW837.40 g/mol
LogP13.86
Rot. Bonds14

About [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane

[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane (PubChem CID 123917135) has the molecular formula C54H76N4Si2 and a molecular weight of 837.40 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane.

Molecular Properties

Compound Name[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane
PubChem CID123917135
Molecular FormulaC54H76N4Si2
Molecular Weight837.40 g/mol
Exact Mass836.56
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1=[SiH][SiH2]C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C54H76N4Si2/c1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16/h17-40,53,60H,59H2,1-16H3
InChIKeySLRORKJNZLADAK-UHFFFAOYSA-N
XLogP13.86
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.40
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanylidene]phosphane
CID 132942700
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-iodosilyl]-iodosilane
CID 177492697
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
CID 148740840
bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane
CID 177405397
1-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]propan-2-one
CID 46189622
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole
CID 46189436
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
CID 50911030
CID 50911030
[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl-diphenylphosphaniumyl]boranuide
CID 139168157
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane
CID 175121682
3-[2,6-di(propan-2-yl)phenyl]-2-propan-2-yl-1,2-dihydroimidazole;ethane
CID 169110891
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane?
The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane (CID 123917135) is [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane.
What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane?
The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1=[SiH][SiH2]C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane?
The InChIKey is SLRORKJNZLADAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H76N4Si2/c1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16/h17-40,53,60H,59H2,1-16H3.
What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane?
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane has a molecular weight of 837.40 g/mol, XLogP of 13.86, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silylsilane is sourced from PubChem (CID 123917135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).