3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene

C26H18N2SSi — CID 174283204

IUPAC3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene
SMILESC[Si]1(C)c2ccccc2-c2c1n1c3sccc3c3cccc4[nH]c5ccc2c1c5c43
InChIInChI=1S/C26H18N2SSi/c1-30(2)20-9-4-3-6-16(20)21-17-10-11-19-23-22-14(7-5-8-18(22)27-19)15-12-13-29-25(15)28(24(17)23)26(21)30/h3-13,27H,1-2H3
InChIKeyIJQVJYXIFSBHAT-UHFFFAOYSA-N
MW418.60 g/mol
LogP6.18
Rot. Bonds

About 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene

3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene (PubChem CID 174283204) has the molecular formula C26H18N2SSi and a molecular weight of 418.60 g/mol. Its IUPAC name is 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene.

Molecular Properties

Compound Name3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene
PubChem CID174283204
Molecular FormulaC26H18N2SSi
Molecular Weight418.60 g/mol
Exact Mass418.10
IUPAC Name3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene
SMILESC[Si]1(C)c2ccccc2-c2c1n1c3sccc3c3cccc4[nH]c5ccc2c1c5c43
InChIInChI=1S/C26H18N2SSi/c1-30(2)20-9-4-3-6-16(20)21-17-10-11-19-23-22-14(7-5-8-18(22)27-19)15-12-13-29-25(15)28(24(17)23)26(21)30/h3-13,27H,1-2H3
InChIKeyIJQVJYXIFSBHAT-UHFFFAOYSA-N
XLogP6.18
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.60
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene with MolForge

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Related Compounds

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CID 174282940
11-oxa-3-thia-1,32-diazanonacyclo[16.12.1.117,20.02,13.04,12.05,10.014,31.019,24.025,30]dotriaconta-2(13),4(12),5,7,9,14(31),15,17,19(24),20,22,25,27,29-tetradecaene
CID 174283408
3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole
CID 156626575
23-azahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1,3,5(22),6,8,10,12,14,16(21),17,19-undecaene
CID 162733269
8,9-diphenyl-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 171620879
1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
CID 168834764
15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene
CID 90270217
ethane;4-phenyl-9H-carbazole
CID 168948755
15-phenyl-25-thia-15,17,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene
CID 174285476
10,10,26,26-tetramethyl-9,25-diaza-10,26-disilanonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11,13,15,17(34),18(33),19,21,23,27,29,31-pentadecaene
CID 71277247
10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole
CID 167296024
4-phenyl-9H-carbazole
CID 22990274

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene?
The IUPAC name of 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene (CID 174283204) is 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene.
What is the SMILES notation for 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene?
The canonical SMILES for 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene is C[Si]1(C)c2ccccc2-c2c1n1c3sccc3c3cccc4[nH]c5ccc2c1c5c43.
What is the InChIKey of 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene?
The InChIKey is IJQVJYXIFSBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2SSi/c1-30(2)20-9-4-3-6-16(20)21-17-10-11-19-23-22-14(7-5-8-18(22)27-19)15-12-13-29-25(15)28(24(17)23)26(21)30/h3-13,27H,1-2H3.
What are the key properties of 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene?
3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene has a molecular weight of 418.60 g/mol, XLogP of 6.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-25-thia-1,28-diaza-3-silaoctacyclo[13.11.1.114,17.02,10.04,9.011,27.016,21.022,26]octacosa-2(10),4,6,8,11(27),12,14,16(21),17,19,22(26),23-dodecaene is sourced from PubChem (CID 174283204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).