[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene

C119H158N18Si6+6 — CID 167652803

IUPAC[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
SMILESCCN(CC)c1ccc2c(c1)[Si](C)(C)C1=C/C(=[N+](\C)CC)C=CC1=N2.CCNc1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=N2.CC[N+]1=c2cc3c(cc2CCC1)=Nc1ccc(N(C)C)cc1[Si]3(C)C.CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=N2.CN(C)c1ccc2c(c1)[Si](C)(C)c1cc3c(cc1=N2)CC[N+]=3C.CN1CCCc2cc3c(cc21)[Si](C)(C)c1cc2c(cc1=N3)CCC[N+]=2C
InChIInChI=1S/C22H28N3Si.C21H28N3Si.C21H30N3Si.C19H24N3Si.C18H24N3Si.C18H23N3Si/c1-24-9-5-7-15-11-17-21(13-19(15)24)26(3,4)22-14-20-16(12-18(22)23-17)8-6-10-25(20)2;1-6-24-11-7-8-15-12-18-21(14-19(15)24)25(4,5)20-13-16(23(2)3)9-10-17(20)22-18;1-7-23(4)16-10-12-18-20(14-16)25(5,6)21-15-17(24(8-2)9-3)11-13-19(21)22-18;1-21(2)14-6-7-15-18(11-14)23(4,5)19-12-17-13(8-9-22(17)3)10-16(19)20-15;1-20(2)13-7-9-15-17(11-13)22(5,6)18-12-14(21(3)4)8-10-16(18)19-15;1-6-19-13-7-9-15-17(11-13)22(4,5)18-12-14(21(2)3)8-10-16(18)20-15/h11-14H,5-10H2,1-4H3;9-10,12-14H,6-8,11H2,1-5H3;10-15H,7-9H2,1-6H3;6-7,10-12H,8-9H2,1-5H3;7-12H,1-6H3;7-12H,6H2,1-5H3/q5*+1;/p+1
InChIKeyQUYVZPJYIQVUOS-UHFFFAOYSA-O
MW2009.21 g/mol
LogP12.08
Rot. Bonds10

About [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene

[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene (PubChem CID 167652803) has the molecular formula C119H158N18Si6+6 and a molecular weight of 2009.21 g/mol. Its IUPAC name is [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene.

Molecular Properties

Compound Name[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
PubChem CID167652803
Molecular FormulaC119H158N18Si6+6
Molecular Weight2009.21 g/mol
Exact Mass2007.15
IUPAC Name[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
SMILESCCN(CC)c1ccc2c(c1)[Si](C)(C)C1=C/C(=[N+](\C)CC)C=CC1=N2.CCNc1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=N2.CC[N+]1=c2cc3c(cc2CCC1)=Nc1ccc(N(C)C)cc1[Si]3(C)C.CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=N2.CN(C)c1ccc2c(c1)[Si](C)(C)c1cc3c(cc1=N2)CC[N+]=3C.CN1CCCc2cc3c(cc21)[Si](C)(C)c1cc2c(cc1=N3)CCC[N+]=2C
InChIInChI=1S/C22H28N3Si.C21H28N3Si.C21H30N3Si.C19H24N3Si.C18H24N3Si.C18H23N3Si/c1-24-9-5-7-15-11-17-21(13-19(15)24)26(3,4)22-14-20-16(12-18(22)23-17)8-6-10-25(20)2;1-6-24-11-7-8-15-12-18-21(14-19(15)24)25(4,5)20-13-16(23(2)3)9-10-17(20)22-18;1-7-23(4)16-10-12-18-20(14-16)25(5,6)21-15-17(24(8-2)9-3)11-13-19(21)22-18;1-21(2)14-6-7-15-18(11-14)23(4,5)19-12-17-13(8-9-22(17)3)10-16(19)20-15;1-20(2)13-7-9-15-17(11-13)22(5,6)18-12-14(21(3)4)8-10-16(18)19-15;1-6-19-13-7-9-15-17(11-13)22(4,5)18-12-14(21(2)3)8-10-16(18)20-15/h11-14H,5-10H2,1-4H3;9-10,12-14H,6-8,11H2,1-5H3;10-15H,7-9H2,1-6H3;6-7,10-12H,8-9H2,1-5H3;7-12H,1-6H3;7-12H,6H2,1-5H3/q5*+1;/p+1
InChIKeyQUYVZPJYIQVUOS-UHFFFAOYSA-O
XLogP12.08
TPSA120.45 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.21
LogP ≤ 512.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
The IUPAC name of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene (CID 167652803) is [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene.
What is the SMILES notation for [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
The canonical SMILES for [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene is CCN(CC)c1ccc2c(c1)[Si](C)(C)C1=C/C(=[N+](\C)CC)C=CC1=N2.CCNc1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=N2.CC[N+]1=c2cc3c(cc2CCC1)=Nc1ccc(N(C)C)cc1[Si]3(C)C.CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=N2.CN(C)c1ccc2c(c1)[Si](C)(C)c1cc3c(cc1=N2)CC[N+]=3C.CN1CCCc2cc3c(cc21)[Si](C)(C)c1cc2c(cc1=N3)CCC[N+]=2C.
What is the InChIKey of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
The InChIKey is QUYVZPJYIQVUOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N3Si.C21H28N3Si.C21H30N3Si.C19H24N3Si.C18H24N3Si.C18H23N3Si/c1-24-9-5-7-15-11-17-21(13-19(15)24)26(3,4)22-14-20-16(12-18(22)23-17)8-6-10-25(20)2;1-6-24-11-7-8-15-12-18-21(14-19(15)24)25(4,5)20-13-16(23(2)3)9-10-17(20)22-18;1-7-23(4)16-10-12-18-20(14-16)25(5,6)21-15-17(24(8-2)9-3)11-13-19(21)22-18;1-21(2)14-6-7-15-18(11-14)23(4,5)19-12-17-13(8-9-22(17)3)10-16(19)20-15;1-20(2)13-7-9-15-17(11-13)22(5,6)18-12-14(21(3)4)8-10-16(18)19-15;1-6-19-13-7-9-15-17(11-13)22(4,5)18-12-14(21(2)3)8-10-16(18)20-15/h11-14H,5-10H2,1-4H3;9-10,12-14H,6-8,11H2,1-5H3;10-15H,7-9H2,1-6H3;6-7,10-12H,8-9H2,1-5H3;7-12H,1-6H3;7-12H,6H2,1-5H3/q5*+1;/p+1.
What are the key properties of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene has a molecular weight of 2009.21 g/mol, XLogP of 12.08, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene is sourced from PubChem (CID 167652803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).