6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C24H30N2O6Si2 — CID 102464800

IUPAC6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESC[Si](C)(C)OCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCO[Si](C)(C)C)C3=O
InChIInChI=1S/C24H30N2O6Si2/c1-33(2,3)31-13-11-25-21(27)15-7-9-17-20-18(10-8-16(19(15)20)22(25)28)24(30)26(23(17)29)12-14-32-34(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyWRVGCLTXSZATSU-UHFFFAOYSA-N
MW498.68 g/mol
LogP3.73
Rot. Bonds8

About 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 102464800) has the molecular formula C24H30N2O6Si2 and a molecular weight of 498.68 g/mol. Its IUPAC name is 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID102464800
Molecular FormulaC24H30N2O6Si2
Molecular Weight498.68 g/mol
Exact Mass498.16
IUPAC Name6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESC[Si](C)(C)OCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCO[Si](C)(C)C)C3=O
InChIInChI=1S/C24H30N2O6Si2/c1-33(2,3)31-13-11-25-21(27)15-7-9-17-20-18(10-8-16(19(15)20)22(25)28)24(30)26(23(17)29)12-14-32-34(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyWRVGCLTXSZATSU-UHFFFAOYSA-N
XLogP3.73
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.68
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Related Compounds

6,13-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102139603
triethyl-[2-[5,7,12,14-tetraoxo-13-[2-(triethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium
CID 101415047
6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101363794
trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium
CID 14342261
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 160765942
1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 13139850
7,18-bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58107132
2-(18-methyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)ethyl prop-2-enoate
CID 122517913
7,18-dibutyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139206036
13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58709206
6-[2-(2-hydroxyethoxy)ethyl]-13-(2-hydroxypropylamino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 118199020
7-(4-trimethoxysilylbutyl)-18-(3-trimethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 44820343

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 102464800) is 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is C[Si](C)(C)OCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCO[Si](C)(C)C)C3=O.
What is the InChIKey of 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is WRVGCLTXSZATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6Si2/c1-33(2,3)31-13-11-25-21(27)15-7-9-17-20-18(10-8-16(19(15)20)22(25)28)24(30)26(23(17)29)12-14-32-34(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 498.68 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(2-trimethylsilyloxyethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 102464800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).