trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane

C31H36N2Si2 — CID 90780530

IUPACtrimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(C=Cc2cc(C=Cc3ccccc3[Si](C)(C)C)nn2-c2ccccc2)cc1
InChIInChI=1S/C31H36N2Si2/c1-34(2,3)30-22-17-25(18-23-30)16-21-29-24-27(32-33(29)28-13-8-7-9-14-28)20-19-26-12-10-11-15-31(26)35(4,5)6/h7-24H,1-6H3
InChIKeyMLVFVHMACNFEJS-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.30
Rot. Bonds7

About trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane

trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane (PubChem CID 90780530) has the molecular formula C31H36N2Si2 and a molecular weight of 492.82 g/mol. Its IUPAC name is trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane
PubChem CID90780530
Molecular FormulaC31H36N2Si2
Molecular Weight492.82 g/mol
Exact Mass492.24
IUPAC Nametrimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(C=Cc2cc(C=Cc3ccccc3[Si](C)(C)C)nn2-c2ccccc2)cc1
InChIInChI=1S/C31H36N2Si2/c1-34(2,3)30-22-17-25(18-23-30)16-21-29-24-27(32-33(29)28-13-8-7-9-14-28)20-19-26-12-10-11-15-31(26)35(4,5)6/h7-24H,1-6H3
InChIKeyMLVFVHMACNFEJS-UHFFFAOYSA-N
XLogP7.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
CID 11302502
3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol
CID 71416893
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 135518353
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 136608073
methyl 4-[3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 162665812
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315667
(4-ethenylphenyl)-trimethylsilane;styrene
CID 86748359
4-[(E)-2-[1-(2-fluorophenyl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 137158246
2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
CID 135495141

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane?
The IUPAC name of trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane (CID 90780530) is trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane?
The canonical SMILES for trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane is C[Si](C)(C)c1ccc(C=Cc2cc(C=Cc3ccccc3[Si](C)(C)C)nn2-c2ccccc2)cc1.
What is the InChIKey of trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane?
The InChIKey is MLVFVHMACNFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2Si2/c1-34(2,3)30-22-17-25(18-23-30)16-21-29-24-27(32-33(29)28-13-8-7-9-14-28)20-19-26-12-10-11-15-31(26)35(4,5)6/h7-24H,1-6H3.
What are the key properties of trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane?
trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane has a molecular weight of 492.82 g/mol, XLogP of 7.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane is sourced from PubChem (CID 90780530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).