1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole

C30H24N2Si — CID 13180862

IUPAC1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(C=[N+]=[N-])C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H24N2Si/c1-33(22-32-31)29(25-18-10-4-11-19-25)27(23-14-6-2-7-15-23)28(24-16-8-3-9-17-24)30(33)26-20-12-5-13-21-26/h2-22H,1H3
InChIKeyKGYZGIGNBXOGDA-UHFFFAOYSA-N
MW440.62 g/mol
LogP7.22
Rot. Bonds5

About 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole

1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole (PubChem CID 13180862) has the molecular formula C30H24N2Si and a molecular weight of 440.62 g/mol. Its IUPAC name is 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
PubChem CID13180862
Molecular FormulaC30H24N2Si
Molecular Weight440.62 g/mol
Exact Mass440.17
IUPAC Name1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(C=[N+]=[N-])C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H24N2Si/c1-33(22-32-31)29(25-18-10-4-11-19-25)27(23-14-6-2-7-15-23)28(24-16-8-3-9-17-24)30(33)26-20-12-5-13-21-26/h2-22H,1H3
InChIKeyKGYZGIGNBXOGDA-UHFFFAOYSA-N
XLogP7.22
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole (CID 13180862) is 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole is C[Si]1(C=[N+]=[N-])C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole?
The InChIKey is KGYZGIGNBXOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2Si/c1-33(22-32-31)29(25-18-10-4-11-19-25)27(23-14-6-2-7-15-23)28(24-16-8-3-9-17-24)30(33)26-20-12-5-13-21-26/h2-22H,1H3.
What are the key properties of 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole?
1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole has a molecular weight of 440.62 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 13180862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).