4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine

C24H30N3O2Si+ — CID 160792592

IUPAC4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine
SMILESC=CC[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C24H30N3O2Si/c1-3-16-30(2)23-17-19(26-8-12-28-13-9-26)4-6-21(23)25-22-7-5-20(18-24(22)30)27-10-14-29-15-11-27/h3-7,17-18H,1,8-16H2,2H3/q+1
InChIKeyYMZFRDWNONDCGJ-UHFFFAOYSA-N
MW420.61 g/mol
LogP2.60
Rot. Bonds3

About 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine

4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine (PubChem CID 160792592) has the molecular formula C24H30N3O2Si+ and a molecular weight of 420.61 g/mol. Its IUPAC name is 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine.

Molecular Properties

Compound Name4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine
PubChem CID160792592
Molecular FormulaC24H30N3O2Si+
Molecular Weight420.61 g/mol
Exact Mass420.21
IUPAC Name4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine
SMILESC=CC[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C24H30N3O2Si/c1-3-16-30(2)23-17-19(26-8-12-28-13-9-26)4-6-21(23)25-22-7-5-20(18-24(22)30)27-10-14-29-15-11-27/h3-7,17-18H,1,8-16H2,2H3/q+1
InChIKeyYMZFRDWNONDCGJ-UHFFFAOYSA-N
XLogP2.60
TPSA37.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.61
LogP ≤ 52.60
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine
CID 157112878
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
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
10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline
CID 157236071
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106571459
N-butyl-2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-7-piperidin-1-ylbenzo[b][1]benzosilin-10-yl)-N-methylbenzamide
CID 158964523
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-ethylphenyl)morpholine
CID 20576442
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

Frequently Asked Questions

What is the IUPAC name of 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine?
The IUPAC name of 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine (CID 160792592) is 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine.
What is the SMILES notation for 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine?
The canonical SMILES for 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine is C=CC[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine?
The InChIKey is YMZFRDWNONDCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N3O2Si/c1-3-16-30(2)23-17-19(26-8-12-28-13-9-26)4-6-21(23)25-22-7-5-20(18-24(22)30)27-10-14-29-15-11-27/h3-7,17-18H,1,8-16H2,2H3/q+1.
What are the key properties of 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine?
4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine has a molecular weight of 420.61 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine is sourced from PubChem (CID 160792592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).