di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane

C50H64Si3 — CID 139672608

IUPACdi(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C([Si](C)(c2ccccc2)c2ccccc2)C=C1C(C)C)C1C=C([Si](C)(c2ccccc2)c2ccccc2)C=C1C(C)C
InChIInChI=1S/C50H64Si3/c1-11-39(7)53(40(8)12-2,49-35-45(33-47(49)37(3)4)51(9,41-25-17-13-18-26-41)42-27-19-14-20-28-42)50-36-46(34-48(50)38(5)6)52(10,43-29-21-15-22-30-43)44-31-23-16-24-32-44/h13-40,49-50H,11-12H2,1-10H3
InChIKeyNXJQHGXJLRGIFJ-UHFFFAOYSA-N
MW749.32 g/mol
LogP11.69
Rot. Bonds14

About di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane

di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane (PubChem CID 139672608) has the molecular formula C50H64Si3 and a molecular weight of 749.32 g/mol. Its IUPAC name is di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane.

Molecular Properties

Compound Namedi(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane
PubChem CID139672608
Molecular FormulaC50H64Si3
Molecular Weight749.32 g/mol
Exact Mass748.43
IUPAC Namedi(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C([Si](C)(c2ccccc2)c2ccccc2)C=C1C(C)C)C1C=C([Si](C)(c2ccccc2)c2ccccc2)C=C1C(C)C
InChIInChI=1S/C50H64Si3/c1-11-39(7)53(40(8)12-2,49-35-45(33-47(49)37(3)4)51(9,41-25-17-13-18-26-41)42-27-19-14-20-28-42)50-36-46(34-48(50)38(5)6)52(10,43-29-21-15-22-30-43)44-31-23-16-24-32-44/h13-40,49-50H,11-12H2,1-10H3
InChIKeyNXJQHGXJLRGIFJ-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.32
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane with MolForge

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Related Compounds

di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672616
bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139672587
butan-2-yl-dimethyl-phenylsilane
CID 102005826
di(butan-2-yl)-hydroxy-phenylsilane
CID 139986252
butan-2-yl-ethyl-hydroxy-phenylsilane
CID 139986235
diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672592
butan-2-yl-methoxy-methyl-triphenylsilylsilane
CID 58833873
3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline
CID 67965010
(amino-phenyl-propan-2-ylsilyl)benzene
CID 54544668
hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
CID 140942281
dimethyl-pentan-3-yloxy-phenylsilane
CID 11345091
(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol
CID 71745473

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane?
The IUPAC name of di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane (CID 139672608) is di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane.
What is the SMILES notation for di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane?
The canonical SMILES for di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane is CCC(C)[Si](C(C)CC)(C1C=C([Si](C)(c2ccccc2)c2ccccc2)C=C1C(C)C)C1C=C([Si](C)(c2ccccc2)c2ccccc2)C=C1C(C)C.
What is the InChIKey of di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane?
The InChIKey is NXJQHGXJLRGIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64Si3/c1-11-39(7)53(40(8)12-2,49-35-45(33-47(49)37(3)4)51(9,41-25-17-13-18-26-41)42-27-19-14-20-28-42)50-36-46(34-48(50)38(5)6)52(10,43-29-21-15-22-30-43)44-31-23-16-24-32-44/h13-40,49-50H,11-12H2,1-10H3.
What are the key properties of di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane?
di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane has a molecular weight of 749.32 g/mol, XLogP of 11.69, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane is sourced from PubChem (CID 139672608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).