14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane

C107H89ClN7O9Si+7 — CID 157132766

IUPAC14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane
SMILESCOc1ccc2ccc3ccc[n+]4c3c2c1OC4.COc1ccc2ccc3cccc4c3c2[n+]1CO4.C[Si](C)(C)c1ccc2ccc3ccc[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc(C)[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc[n+]4c3c2c1OC4.Clc1ccc2ccc3cccc4c3c2[n+]1CO4
InChIInChI=1S/C17H18NOSi.C16H14NO.2C15H12NO2.2C15H12NO.C14H9ClNO/c1-20(2,3)14-9-8-12-6-7-13-5-4-10-18-11-19-17(14)15(12)16(13)18;1-10-3-5-12-7-8-13-6-4-11(2)17-9-18-16(10)14(12)15(13)17;1-17-12-7-6-10-4-5-11-3-2-8-16-9-18-15(12)13(10)14(11)16;1-17-13-8-7-11-6-5-10-3-2-4-12-14(10)15(11)16(13)9-18-12;2*1-10-4-5-11-6-7-12-3-2-8-16-9-17-15(10)13(11)14(12)16;15-12-7-6-10-5-4-9-2-1-3-11-13(9)14(10)16(12)8-17-11/h4-10H,11H2,1-3H3;3-8H,9H2,1-2H3;2*2-8H,9H2,1H3;2*2-8H,9H2,1H3;1-7H,8H2/q7*+1
InChIKeyBNNHHUXRSUWJFK-UHFFFAOYSA-N
MW1680.47 g/mol
LogP20.86
Rot. Bonds3

About 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane

14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane (PubChem CID 157132766) has the molecular formula C107H89ClN7O9Si+7 and a molecular weight of 1680.47 g/mol. Its IUPAC name is 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane.

Molecular Properties

Compound Name14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane
PubChem CID157132766
Molecular FormulaC107H89ClN7O9Si+7
Molecular Weight1680.47 g/mol
Exact Mass1678.61
IUPAC Name14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane
SMILESCOc1ccc2ccc3ccc[n+]4c3c2c1OC4.COc1ccc2ccc3cccc4c3c2[n+]1CO4.C[Si](C)(C)c1ccc2ccc3ccc[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc(C)[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc[n+]4c3c2c1OC4.Clc1ccc2ccc3cccc4c3c2[n+]1CO4
InChIInChI=1S/C17H18NOSi.C16H14NO.2C15H12NO2.2C15H12NO.C14H9ClNO/c1-20(2,3)14-9-8-12-6-7-13-5-4-10-18-11-19-17(14)15(12)16(13)18;1-10-3-5-12-7-8-13-6-4-11(2)17-9-18-16(10)14(12)15(13)17;1-17-12-7-6-10-4-5-11-3-2-8-16-9-18-15(12)13(10)14(11)16;1-17-13-8-7-11-6-5-10-3-2-4-12-14(10)15(11)16(13)9-18-12;2*1-10-4-5-11-6-7-12-3-2-8-16-9-17-15(10)13(11)14(12)16;15-12-7-6-10-5-4-9-2-1-3-11-13(9)14(10)16(12)8-17-11/h4-10H,11H2,1-3H3;3-8H,9H2,1-2H3;2*2-8H,9H2,1H3;2*2-8H,9H2,1H3;1-7H,8H2/q7*+1
InChIKeyBNNHHUXRSUWJFK-UHFFFAOYSA-N
XLogP20.86
TPSA110.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001680.47
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane?
The IUPAC name of 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane (CID 157132766) is 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane.
What is the SMILES notation for 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane?
The canonical SMILES for 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane is COc1ccc2ccc3ccc[n+]4c3c2c1OC4.COc1ccc2ccc3cccc4c3c2[n+]1CO4.C[Si](C)(C)c1ccc2ccc3ccc[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc(C)[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc[n+]4c3c2c1OC4.Cc1ccc2ccc3ccc[n+]4c3c2c1OC4.Clc1ccc2ccc3cccc4c3c2[n+]1CO4.
What is the InChIKey of 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane?
The InChIKey is BNNHHUXRSUWJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NOSi.C16H14NO.2C15H12NO2.2C15H12NO.C14H9ClNO/c1-20(2,3)14-9-8-12-6-7-13-5-4-10-18-11-19-17(14)15(12)16(13)18;1-10-3-5-12-7-8-13-6-4-11(2)17-9-18-16(10)14(12)15(13)17;1-17-12-7-6-10-4-5-11-3-2-8-16-9-18-15(12)13(10)14(11)16;1-17-13-8-7-11-6-5-10-3-2-4-12-14(10)15(11)16(13)9-18-12;2*1-10-4-5-11-6-7-12-3-2-8-16-9-17-15(10)13(11)14(12)16;15-12-7-6-10-5-4-9-2-1-3-11-13(9)14(10)16(12)8-17-11/h4-10H,11H2,1-3H3;3-8H,9H2,1-2H3;2*2-8H,9H2,1H3;2*2-8H,9H2,1H3;1-7H,8H2/q7*+1.
What are the key properties of 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane?
14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane has a molecular weight of 1680.47 g/mol, XLogP of 20.86, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5,14-dimethyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;5-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;14-methoxy-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene;bis(5-methyl-3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene);trimethyl(3-oxa-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-5-yl)silane is sourced from PubChem (CID 157132766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).