4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine

C22H28N3O2Si+ — CID 157112878

IUPAC4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine
SMILESC[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C22H28N3O2Si/c1-28(2)21-15-17(24-7-11-26-12-8-24)3-5-19(21)23-20-6-4-18(16-22(20)28)25-9-13-27-14-10-25/h3-6,15-16H,7-14H2,1-2H3/q+1
InChIKeyHJFRXJPQCKQPPI-UHFFFAOYSA-N
MW394.57 g/mol
LogP2.04
Rot. Bonds1

About 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine

4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine (PubChem CID 157112878) has the molecular formula C22H28N3O2Si+ and a molecular weight of 394.57 g/mol. Its IUPAC name is 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine.

Molecular Properties

Compound Name4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine
PubChem CID157112878
Molecular FormulaC22H28N3O2Si+
Molecular Weight394.57 g/mol
Exact Mass394.19
IUPAC Name4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine
SMILESC[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C22H28N3O2Si/c1-28(2)21-15-17(24-7-11-26-12-8-24)3-5-19(21)23-20-6-4-18(16-22(20)28)25-9-13-27-14-10-25/h3-6,15-16H,7-14H2,1-2H3/q+1
InChIKeyHJFRXJPQCKQPPI-UHFFFAOYSA-N
XLogP2.04
TPSA37.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine
CID 160792592
2-(5,5-dimethyl-3-morpholin-4-ium-4-ylidene-7-morpholin-4-ylbenzo[b][1]benzosilin-10-yl)-3,4,5,6-tetrafluorobenzoate
CID 162450172
2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-7-piperidin-1-ylbenzo[b][1]benzosilin-10-yl)-3,4,5,6-tetrafluorobenzoic acid
CID 162450264
4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine
CID 18737625
3-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-carboxybenzoate
CID 140772579
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-ethylphenyl)morpholine
CID 20576442
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781

Frequently Asked Questions

What is the IUPAC name of 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine?
The IUPAC name of 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine (CID 157112878) is 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine.
What is the SMILES notation for 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine?
The canonical SMILES for 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine is C[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine?
The InChIKey is HJFRXJPQCKQPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N3O2Si/c1-28(2)21-15-17(24-7-11-26-12-8-24)3-5-19(21)23-20-6-4-18(16-22(20)28)25-9-13-27-14-10-25/h3-6,15-16H,7-14H2,1-2H3/q+1.
What are the key properties of 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine?
4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine has a molecular weight of 394.57 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine is sourced from PubChem (CID 157112878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).