(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane

C29H32N2OSi2 — CID 164815091

IUPAC(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane
SMILESCC1(C)c2nc3ccccc3nc2-c2ccc([Si](C)(C)C)c3oc4c([Si](C)(C)C)ccc1c4c23
InChIInChI=1S/C29H32N2OSi2/c1-29(2)18-14-16-22(34(6,7)8)27-24(18)23-17(13-15-21(26(23)32-27)33(3,4)5)25-28(29)31-20-12-10-9-11-19(20)30-25/h9-16H,1-8H3
InChIKeyZSVLIBNVZXNWIJ-UHFFFAOYSA-N
MW480.76 g/mol
LogP6.93
Rot. Bonds2

About (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane

(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane (PubChem CID 164815091) has the molecular formula C29H32N2OSi2 and a molecular weight of 480.76 g/mol. Its IUPAC name is (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane.

Molecular Properties

Compound Name(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane
PubChem CID164815091
Molecular FormulaC29H32N2OSi2
Molecular Weight480.76 g/mol
Exact Mass480.21
IUPAC Name(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane
SMILESCC1(C)c2nc3ccccc3nc2-c2ccc([Si](C)(C)C)c3oc4c([Si](C)(C)C)ccc1c4c23
InChIInChI=1S/C29H32N2OSi2/c1-29(2)18-14-16-22(34(6,7)8)27-24(18)23-17(13-15-21(26(23)32-27)33(3,4)5)25-28(29)31-20-12-10-9-11-19(20)30-25/h9-16H,1-8H3
InChIKeyZSVLIBNVZXNWIJ-UHFFFAOYSA-N
XLogP6.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane with MolForge

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Related Compounds

12,12-dimethyl-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 164748888
trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane
CID 164814308
7,12,12-trimethyl-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaene
CID 164748474
2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene
CID 164814700
28,28-dimethyl-10-(3-phenylquinoxalin-2-yl)-5,15-dioxa-10-azanonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1(27),2,4(26),6(25),7,9(24),11(23),12,14(22),16(21),17,19-dodecaene
CID 163653175
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
2,20-ditert-butyl-16,16-dimethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164815109
CID 164815148
CID 164815148
2-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzothiophen-1-yl-3-(4-phenylphenyl)quinoxaline
CID 165060519
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 158835789
spiro[chromene-4,11'-indeno[1,2-b]quinoxaline]
CID 122374927

Frequently Asked Questions

What is the IUPAC name of (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane?
The IUPAC name of (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane (CID 164815091) is (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane.
What is the SMILES notation for (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane?
The canonical SMILES for (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane is CC1(C)c2nc3ccccc3nc2-c2ccc([Si](C)(C)C)c3oc4c([Si](C)(C)C)ccc1c4c23.
What is the InChIKey of (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane?
The InChIKey is ZSVLIBNVZXNWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2OSi2/c1-29(2)18-14-16-22(34(6,7)8)27-24(18)23-17(13-15-21(26(23)32-27)33(3,4)5)25-28(29)31-20-12-10-9-11-19(20)30-25/h9-16H,1-8H3.
What are the key properties of (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane?
(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane has a molecular weight of 480.76 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane is sourced from PubChem (CID 164815091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).