(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane

C28H25N2OSi+ — CID 164722905

IUPAC(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane
SMILESCc1c2c(cc3cnccc13)Oc1cc([Si](C)(C)c3ccccc3)cc3cc[n+](C)c-2c13
InChIInChI=1S/C28H25N2OSi/c1-18-23-10-12-29-17-20(23)15-24-26(18)28-27-19(11-13-30(28)2)14-22(16-25(27)31-24)32(3,4)21-8-6-5-7-9-21/h5-17H,1-4H3/q+1
InChIKeyMOWQUKCABJHTIJ-UHFFFAOYSA-N
MW433.61 g/mol
LogP5.12
Rot. Bonds2

About (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane

(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane (PubChem CID 164722905) has the molecular formula C28H25N2OSi+ and a molecular weight of 433.61 g/mol. Its IUPAC name is (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane.

Molecular Properties

Compound Name(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane
PubChem CID164722905
Molecular FormulaC28H25N2OSi+
Molecular Weight433.61 g/mol
Exact Mass433.17
IUPAC Name(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane
SMILESCc1c2c(cc3cnccc13)Oc1cc([Si](C)(C)c3ccccc3)cc3cc[n+](C)c-2c13
InChIInChI=1S/C28H25N2OSi/c1-18-23-10-12-29-17-20(23)15-24-26(18)28-27-19(11-13-30(28)2)14-22(16-25(27)31-24)32(3,4)21-8-6-5-7-9-21/h5-17H,1-4H3/q+1
InChIKeyMOWQUKCABJHTIJ-UHFFFAOYSA-N
XLogP5.12
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.61
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane with MolForge

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Related Compounds

(3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane
CID 164722859
15-(2,6-dimethylphenyl)-3,20-dimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722657
15-isocyano-3,20-dimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 166496776
3,24-dimethyl-19-phenyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 168732700
3,16,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722510
3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
CID 164722064
3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene
CID 164723017
15-cyclopentyl-3,16,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722331
phenyl-(3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-15-yl)methanone
CID 164722433
16-cyclopentyl-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 168732098
trimethyl-[3,10,20-trimethyl-6-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl]silane
CID 164722528
[3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane
CID 164722400

Frequently Asked Questions

What is the IUPAC name of (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane?
The IUPAC name of (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane (CID 164722905) is (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane.
What is the SMILES notation for (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane?
The canonical SMILES for (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane is Cc1c2c(cc3cnccc13)Oc1cc([Si](C)(C)c3ccccc3)cc3cc[n+](C)c-2c13.
What is the InChIKey of (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane?
The InChIKey is MOWQUKCABJHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N2OSi/c1-18-23-10-12-29-17-20(23)15-24-26(18)28-27-19(11-13-30(28)2)14-22(16-25(27)31-24)32(3,4)21-8-6-5-7-9-21/h5-17H,1-4H3/q+1.
What are the key properties of (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane?
(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane has a molecular weight of 433.61 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane is sourced from PubChem (CID 164722905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).