(11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane

C28H30N3Si+ — CID 170684971

IUPAC(11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane
SMILESCc1ccc2c3cccc(C(C)C)c3n3c4cc([Si](C)(C)C)cc5nc[n+](C)c(c1c23)c54
InChIInChI=1S/C28H30N3Si/c1-16(2)19-9-8-10-20-21-12-11-17(3)24-27(21)31(26(19)20)23-14-18(32(5,6)7)13-22-25(23)28(24)30(4)15-29-22/h8-16H,1-7H3/q+1
InChIKeyXPXXQGVAAJJIFS-UHFFFAOYSA-N
MW436.66 g/mol
LogP6.19
Rot. Bonds2

About (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane

(11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane (PubChem CID 170684971) has the molecular formula C28H30N3Si+ and a molecular weight of 436.66 g/mol. Its IUPAC name is (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane.

Molecular Properties

Compound Name(11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane
PubChem CID170684971
Molecular FormulaC28H30N3Si+
Molecular Weight436.66 g/mol
Exact Mass436.22
IUPAC Name(11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane
SMILESCc1ccc2c3cccc(C(C)C)c3n3c4cc([Si](C)(C)C)cc5nc[n+](C)c(c1c23)c54
InChIInChI=1S/C28H30N3Si/c1-16(2)19-9-8-10-20-21-12-11-17(3)24-27(21)31(26(19)20)23-14-18(32(5,6)7)13-22-25(23)28(24)30(4)15-29-22/h8-16H,1-7H3/q+1
InChIKeyXPXXQGVAAJJIFS-UHFFFAOYSA-N
XLogP6.19
TPSA21.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.66
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane with MolForge

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Related Compounds

19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684897
trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane
CID 170684969
19-fluoro-10,11,14-trimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 166030144
14,17-dimethyl-6-propan-2-yl-1,12-diaza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
CID 170234759
19-(2-isocyano-2-methylpropyl)-11,14-dimethyl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684279
12,15-dimethyl-20-oxa-2,17-diaza-15-azoniaheptacyclo[12.10.1.12,9.03,8.018,25.019,23.013,26]hexacosa-1(25),3,5,7,9(26),10,12,14,16,18,21,23-dodecaene
CID 170684796
6,9-dimethyl-14-(trideuteriomethyl)-1,11-diaza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaene
CID 169015462
11,14-dimethyl-19-propan-2-yl-18-oxa-1-aza-14-azoniahexacyclo[10.8.1.113,17.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,15,17(22),19-decaene
CID 170684387
(10,13-dimethyl-5-thia-1-aza-13-azoniahexacyclo[9.9.1.112,16.02,6.07,21.020,22]docosa-2(6),3,7(21),8,10,12,14,16,18,20(22)-decaen-18-yl)-trimethylsilane
CID 170684928
trimethyl-(3,8,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane
CID 164723250
[4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
CID 170684512
20-(2,2-dimethylpropyl)-14,17-dimethyl-3-propan-2-yl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
CID 170234129

Frequently Asked Questions

What is the IUPAC name of (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane?
The IUPAC name of (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane (CID 170684971) is (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane.
What is the SMILES notation for (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane?
The canonical SMILES for (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane is Cc1ccc2c3cccc(C(C)C)c3n3c4cc([Si](C)(C)C)cc5nc[n+](C)c(c1c23)c54.
What is the InChIKey of (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane?
The InChIKey is XPXXQGVAAJJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N3Si/c1-16(2)19-9-8-10-20-21-12-11-17(3)24-27(21)31(26(19)20)23-14-18(32(5,6)7)13-22-25(23)28(24)30(4)15-29-22/h8-16H,1-7H3/q+1.
What are the key properties of (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane?
(11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane has a molecular weight of 436.66 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11,14-dimethyl-3-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-19-yl)-trimethylsilane is sourced from PubChem (CID 170684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).