triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane

C32H26NOSi+ — CID 22968880

IUPACtriphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane
SMILESC1=[N+](c2ccccc2)COc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26NOSi/c1-5-15-27(16-6-1)33-24-26-14-13-23-31(32(26)34-25-33)35(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25H2/q+1
InChIKeyHUAZYLYTVGHGAE-UHFFFAOYSA-N
MW468.65 g/mol
LogP4.18
Rot. Bonds5

About triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane

triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane (PubChem CID 22968880) has the molecular formula C32H26NOSi+ and a molecular weight of 468.65 g/mol. Its IUPAC name is triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane.

Molecular Properties

Compound Nametriphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane
PubChem CID22968880
Molecular FormulaC32H26NOSi+
Molecular Weight468.65 g/mol
Exact Mass468.18
IUPAC Nametriphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane
SMILESC1=[N+](c2ccccc2)COc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26NOSi/c1-5-15-27(16-6-1)33-24-26-14-13-23-31(32(26)34-25-33)35(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25H2/q+1
InChIKeyHUAZYLYTVGHGAE-UHFFFAOYSA-N
XLogP4.18
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.65
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2H-1,3-benzoxazin-3-ium-8-carbonitrile
CID 22968572
N,N-dimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium-8-amine
CID 22968868
(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane
CID 21342169
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
3-(4-methoxyphenyl)-8-methyl-2H-1,3-benzoxazin-3-ium
CID 22968135
N,N-dimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-amine
CID 20784355
3-(9H-fluoren-2-yl)-8-phenyl-2H-1,3-benzoxazin-3-ium
CID 22968152
8-(benzenesulfonyl)-3-phenyl-2H-1,3-benzoxazin-3-ium;methyl 3-phenyl-2H-1,3-benzoxazin-3-ium-8-carbodithioate
CID 91330361
8-methyl-3-pyridin-2-yl-2H-1,3-benzoxazin-3-ium
CID 22968438
3-(4-diphenylphosphorylphenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium
CID 91211856
4-(2H-1,3-benzoxazin-3-ium-3-yl)-N,N-dimethylaniline
CID 20784353

Frequently Asked Questions

What is the IUPAC name of triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane?
The IUPAC name of triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane (CID 22968880) is triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane.
What is the SMILES notation for triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane?
The canonical SMILES for triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane is C1=[N+](c2ccccc2)COc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane?
The InChIKey is HUAZYLYTVGHGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26NOSi/c1-5-15-27(16-6-1)33-24-26-14-13-23-31(32(26)34-25-33)35(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25H2/q+1.
What are the key properties of triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane?
triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane has a molecular weight of 468.65 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane is sourced from PubChem (CID 22968880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).