trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane

C20H30N2Si2+2 — CID 21343063

IUPACtrimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane
SMILESC[Si](C)(C)[N+]1([Si](C)(C)C)C[N+](c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C20H30N2Si2/c1-23(2,3)22(24(4,5)6)17-21(19-13-8-7-9-14-19)16-18-12-10-11-15-20(18)22/h7-16H,17H2,1-6H3/q+2
InChIKeyDMYLZULPQDEWHV-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.40
Rot. Bonds3

About trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane

trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane (PubChem CID 21343063) has the molecular formula C20H30N2Si2+2 and a molecular weight of 354.65 g/mol. Its IUPAC name is trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane.

Molecular Properties

Compound Nametrimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane
PubChem CID21343063
Molecular FormulaC20H30N2Si2+2
Molecular Weight354.65 g/mol
Exact Mass354.19
IUPAC Nametrimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane
SMILESC[Si](C)(C)[N+]1([Si](C)(C)C)C[N+](c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C20H30N2Si2/c1-23(2,3)22(24(4,5)6)17-21(19-13-8-7-9-14-19)16-18-12-10-11-15-20(18)22/h7-16H,17H2,1-6H3/q+2
InChIKeyDMYLZULPQDEWHV-UHFFFAOYSA-N
XLogP5.40
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,8-dimethyl-1,3-diphenyl-2H-quinazoline-1,3-diium
CID 21342209
N,N-dimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium-8-amine
CID 22968868
triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane
CID 22968880
3-phenyl-8-prop-1-en-2-yl-2H-1,3-benzoxazin-3-ium
CID 22968427
3-phenyl-8-prop-1-en-2-yl-2H-1,3-benzothiazin-3-ium
CID 21342673
8-ethynyl-3-phenyl-2H-1,3-benzothiazin-3-ium
CID 21342672
N,N-dimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-amine
CID 20784355
trimethyl-(2-phenyl-3H-phospholo[1,2-c][1,3]azaphosphol-2-ium-5-yl)silane
CID 23380266
4-(2H-1,3-benzoxazin-3-ium-3-yl)-N,N-dimethylaniline
CID 20784353
3-phenyl-8-prop-2-enyl-2H-1,3-benzoxazin-3-ium
CID 22968424
3,8-diphenyl-2H-1,3-benzoxazin-3-ium;8-(9-methylfluoren-9-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium
CID 91289766
(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane
CID 21342169

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane?
The IUPAC name of trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane (CID 21343063) is trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane.
What is the SMILES notation for trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane?
The canonical SMILES for trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane is C[Si](C)(C)[N+]1([Si](C)(C)C)C[N+](c2ccccc2)=Cc2ccccc21.
What is the InChIKey of trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane?
The InChIKey is DMYLZULPQDEWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2Si2/c1-23(2,3)22(24(4,5)6)17-21(19-13-8-7-9-14-19)16-18-12-10-11-15-20(18)22/h7-16H,17H2,1-6H3/q+2.
What are the key properties of trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane?
trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane has a molecular weight of 354.65 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane is sourced from PubChem (CID 21343063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).