3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene

C42H58N2O4Si2 — CID 15433495

IUPAC3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene
SMILESCc1cc(C)c2c(c1)CN(C)Cc1cc(C)cc(C)c1O[Si](C)(C)Oc1c(C)cc(C)cc1CN(C)Cc1cc(C)cc(C)c1O[Si](C)(C)O2
InChIInChI=1S/C42H58N2O4Si2/c1-27-15-31(5)39-35(19-27)23-43(9)24-36-20-28(2)16-32(6)40(36)47-50(13,14)48-42-34(8)18-30(4)22-38(42)26-44(10)25-37-21-29(3)17-33(7)41(37)46-49(11,12)45-39/h15-22H,23-26H2,1-14H3
InChIKeyHTEDCRLKNFTXTN-UHFFFAOYSA-N
MW711.11 g/mol
LogP10.05
Rot. Bonds

About 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene

3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene (PubChem CID 15433495) has the molecular formula C42H58N2O4Si2 and a molecular weight of 711.11 g/mol. Its IUPAC name is 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene.

Molecular Properties

Compound Name3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene
PubChem CID15433495
Molecular FormulaC42H58N2O4Si2
Molecular Weight711.11 g/mol
Exact Mass710.39
IUPAC Name3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene
SMILESCc1cc(C)c2c(c1)CN(C)Cc1cc(C)cc(C)c1O[Si](C)(C)Oc1c(C)cc(C)cc1CN(C)Cc1cc(C)cc(C)c1O[Si](C)(C)O2
InChIInChI=1S/C42H58N2O4Si2/c1-27-15-31(5)39-35(19-27)23-43(9)24-36-20-28(2)16-32(6)40(36)47-50(13,14)48-42-34(8)18-30(4)22-38(42)26-44(10)25-37-21-29(3)17-33(7)41(37)46-49(11,12)45-39/h15-22H,23-26H2,1-14H3
InChIKeyHTEDCRLKNFTXTN-UHFFFAOYSA-N
XLogP10.05
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.11
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene?
The IUPAC name of 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene (CID 15433495) is 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene.
What is the SMILES notation for 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene?
The canonical SMILES for 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene is Cc1cc(C)c2c(c1)CN(C)Cc1cc(C)cc(C)c1O[Si](C)(C)Oc1c(C)cc(C)cc1CN(C)Cc1cc(C)cc(C)c1O[Si](C)(C)O2.
What is the InChIKey of 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene?
The InChIKey is HTEDCRLKNFTXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H58N2O4Si2/c1-27-15-31(5)39-35(19-27)23-43(9)24-36-20-28(2)16-32(6)40(36)47-50(13,14)48-42-34(8)18-30(4)22-38(42)26-44(10)25-37-21-29(3)17-33(7)41(37)46-49(11,12)45-39/h15-22H,23-26H2,1-14H3.
What are the key properties of 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene?
3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene has a molecular weight of 711.11 g/mol, XLogP of 10.05, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,8,12,16,18,21,21,24,26,30,34,36-tetradecamethyl-2,4,20,22-tetraoxa-12,30-diaza-3,21-disilapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene is sourced from PubChem (CID 15433495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).