5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one

C24H32N2OSi2 — CID 11318968

IUPAC5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one
SMILESC[Si](C)(C)C1=C2CC3c4[nH]c5ccccc5c4CCN3CC2=C([Si](C)(C)C)C1=O
InChIInChI=1S/C24H32N2OSi2/c1-28(2,3)23-17-13-20-21-16(15-9-7-8-10-19(15)25-21)11-12-26(20)14-18(17)24(22(23)27)29(4,5)6/h7-10,20,25H,11-14H2,1-6H3
InChIKeyWLBWKQPPMIFKCU-UHFFFAOYSA-N
MW420.71 g/mol
LogP5.40
Rot. Bonds2

About 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one

5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one (PubChem CID 11318968) has the molecular formula C24H32N2OSi2 and a molecular weight of 420.71 g/mol. Its IUPAC name is 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one.

Molecular Properties

Compound Name5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one
PubChem CID11318968
Molecular FormulaC24H32N2OSi2
Molecular Weight420.71 g/mol
Exact Mass420.21
IUPAC Name5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one
SMILESC[Si](C)(C)C1=C2CC3c4[nH]c5ccccc5c4CCN3CC2=C([Si](C)(C)C)C1=O
InChIInChI=1S/C24H32N2OSi2/c1-28(2,3)23-17-13-20-21-16(15-9-7-8-10-19(15)25-21)11-12-26(20)14-18(17)24(22(23)27)29(4,5)6/h7-10,20,25H,11-14H2,1-6H3
InChIKeyWLBWKQPPMIFKCU-UHFFFAOYSA-N
XLogP5.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one 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

(1S)-18-methoxy-1,3,11,12,14,21-hexahydroyohimban
CID 11012165
(3S,12bS)-3-ethyl-3-hydroxy-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 10755492
(1S)-17,18-dimethoxy-1,3,11,12,14,21-hexahydroyohimban
CID 14521237
17,18,19-trimethyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban
CID 20703681
(3R)-1-benzyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 38054888
2-[(2S,3Z,12bR)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]acetaldehyde
CID 102317931
ethane;2-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
CID 142977493
1-spiro[1,3-dithiolane-2,2'-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine]-3'-ylethanone
CID 10893706
2-[(Z)-1-trimethylsilylprop-1-enyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one
CID 5388241
(2R,3Z,12bS)-2-[3-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]cyclopentyl]-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 101208726
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284
4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 134946779

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one?
The IUPAC name of 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one (CID 11318968) is 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one.
What is the SMILES notation for 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one?
The canonical SMILES for 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one is C[Si](C)(C)C1=C2CC3c4[nH]c5ccccc5c4CCN3CC2=C([Si](C)(C)C)C1=O.
What is the InChIKey of 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one?
The InChIKey is WLBWKQPPMIFKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2OSi2/c1-28(2,3)23-17-13-20-21-16(15-9-7-8-10-19(15)25-21)11-12-26(20)14-18(17)24(22(23)27)29(4,5)6/h7-10,20,25H,11-14H2,1-6H3.
What are the key properties of 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one?
5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one has a molecular weight of 420.71 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trimethylsilyl)-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),4,7,14,16,18-hexaen-6-one is sourced from PubChem (CID 11318968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).