[10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium

C32H36F3N2O3Si+ — CID 174148783

IUPAC[10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium
SMILESC=C[Si]1(C)C2=C/C(=[N+](\C)CC(F)(F)F)C=CC2=C(c2c(OC)cc(C(C)=O)cc2OC)c2ccc(N(C)CC)cc21
InChIInChI=1S/C32H36F3N2O3Si/c1-9-36(4)22-11-13-24-28(17-22)41(8,10-2)29-18-23(37(5)19-32(33,34)35)12-14-25(29)30(24)31-26(39-6)15-21(20(3)38)16-27(31)40-7/h10-18H,2,9,19H2,1,3-8H3/q+1
InChIKeyIQIQIDBBNRWDFB-UHFFFAOYSA-N
MW581.73 g/mol
LogP5.87
Rot. Bonds8

About [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium

[10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium (PubChem CID 174148783) has the molecular formula C32H36F3N2O3Si+ and a molecular weight of 581.73 g/mol. Its IUPAC name is [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium.

Molecular Properties

Compound Name[10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium
PubChem CID174148783
Molecular FormulaC32H36F3N2O3Si+
Molecular Weight581.73 g/mol
Exact Mass581.24
IUPAC Name[10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium
SMILESC=C[Si]1(C)C2=C/C(=[N+](\C)CC(F)(F)F)C=CC2=C(c2c(OC)cc(C(C)=O)cc2OC)c2ccc(N(C)CC)cc21
InChIInChI=1S/C32H36F3N2O3Si/c1-9-36(4)22-11-13-24-28(17-22)41(8,10-2)29-18-23(37(5)19-32(33,34)35)12-14-25(29)30(24)31-26(39-6)15-21(20(3)38)16-27(31)40-7/h10-18H,2,9,19H2,1,3-8H3/q+1
InChIKeyIQIQIDBBNRWDFB-UHFFFAOYSA-N
XLogP5.87
TPSA41.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.73
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium?
The IUPAC name of [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium (CID 174148783) is [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium.
What is the SMILES notation for [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium?
The canonical SMILES for [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium is C=C[Si]1(C)C2=C/C(=[N+](\C)CC(F)(F)F)C=CC2=C(c2c(OC)cc(C(C)=O)cc2OC)c2ccc(N(C)CC)cc21.
What is the InChIKey of [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium?
The InChIKey is IQIQIDBBNRWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N2O3Si/c1-9-36(4)22-11-13-24-28(17-22)41(8,10-2)29-18-23(37(5)19-32(33,34)35)12-14-25(29)30(24)31-26(39-6)15-21(20(3)38)16-27(31)40-7/h10-18H,2,9,19H2,1,3-8H3/q+1.
What are the key properties of [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium?
[10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium has a molecular weight of 581.73 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(4-acetyl-2,6-dimethoxyphenyl)-5-ethenyl-7-[ethyl(methyl)amino]-5-methylbenzo[b][1]benzosilin-3-ylidene]-methyl-(2,2,2-trifluoroethyl)azanium is sourced from PubChem (CID 174148783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).