cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine

C35H53N3Si — CID 174773770

IUPACcyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine
SMILESCC(C)c1cccc([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)C2C=CC=C2)c1.CN.CN.CN
InChIInChI=1S/C32H38Si.3CH5N/c1-23(2)26-12-9-17-30(20-26)33(29-15-7-8-16-29,31-18-10-13-27(21-31)24(3)4)32-19-11-14-28(22-32)25(5)6;3*1-2/h7-25,29H,1-6H3;3*2H2,1H3
InChIKeyZNMOVEFMFRIJCW-UHFFFAOYSA-N
MW543.92 g/mol
LogP5.75
Rot. Bonds7

About cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine

cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine (PubChem CID 174773770) has the molecular formula C35H53N3Si and a molecular weight of 543.92 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine
PubChem CID174773770
Molecular FormulaC35H53N3Si
Molecular Weight543.92 g/mol
Exact Mass543.40
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine
SMILESCC(C)c1cccc([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)C2C=CC=C2)c1.CN.CN.CN
InChIInChI=1S/C32H38Si.3CH5N/c1-23(2)26-12-9-17-30(20-26)33(29-15-7-8-16-29,31-18-10-13-27(21-31)24(3)4)32-19-11-14-28(22-32)25(5)6;3*1-2/h7-25,29H,1-6H3;3*2H2,1H3
InChIKeyZNMOVEFMFRIJCW-UHFFFAOYSA-N
XLogP5.75
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.92
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine (CID 174773770) is cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine is CC(C)c1cccc([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)C2C=CC=C2)c1.CN.CN.CN.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine?
The InChIKey is ZNMOVEFMFRIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Si.3CH5N/c1-23(2)26-12-9-17-30(20-26)33(29-15-7-8-16-29,31-18-10-13-27(21-31)24(3)4)32-19-11-14-28(22-32)25(5)6;3*1-2/h7-25,29H,1-6H3;3*2H2,1H3.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine?
cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine has a molecular weight of 543.92 g/mol, XLogP of 5.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine is sourced from PubChem (CID 174773770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).