4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline

C33H51N3O3Si3 — CID 68656752

IUPAC4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([Si]2(C)O[Si](C)(c3ccc(N(CC)CC)cc3)O[Si](C)(c3ccc(N(CC)CC)cc3)O2)cc1
InChIInChI=1S/C33H51N3O3Si3/c1-10-34(11-2)28-16-22-31(23-17-28)40(7)37-41(8,32-24-18-29(19-25-32)35(12-3)13-4)39-42(9,38-40)33-26-20-30(21-27-33)36(14-5)15-6/h16-27H,10-15H2,1-9H3
InChIKeyBYJVKFCVCCNWOK-UHFFFAOYSA-N
MW622.05 g/mol
LogP5.53
Rot. Bonds12

About 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline

4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline (PubChem CID 68656752) has the molecular formula C33H51N3O3Si3 and a molecular weight of 622.05 g/mol. Its IUPAC name is 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline
PubChem CID68656752
Molecular FormulaC33H51N3O3Si3
Molecular Weight622.05 g/mol
Exact Mass621.32
IUPAC Name4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([Si]2(C)O[Si](C)(c3ccc(N(CC)CC)cc3)O[Si](C)(c3ccc(N(CC)CC)cc3)O2)cc1
InChIInChI=1S/C33H51N3O3Si3/c1-10-34(11-2)28-16-22-31(23-17-28)40(7)37-41(8,32-24-18-29(19-25-32)35(12-3)13-4)39-42(9,38-40)33-26-20-30(21-27-33)36(14-5)15-6/h16-27H,10-15H2,1-9H3
InChIKeyBYJVKFCVCCNWOK-UHFFFAOYSA-N
XLogP5.53
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.05
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline?
The IUPAC name of 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline (CID 68656752) is 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline.
What is the SMILES notation for 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline?
The canonical SMILES for 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline is CCN(CC)c1ccc([Si]2(C)O[Si](C)(c3ccc(N(CC)CC)cc3)O[Si](C)(c3ccc(N(CC)CC)cc3)O2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline?
The InChIKey is BYJVKFCVCCNWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N3O3Si3/c1-10-34(11-2)28-16-22-31(23-17-28)40(7)37-41(8,32-24-18-29(19-25-32)35(12-3)13-4)39-42(9,38-40)33-26-20-30(21-27-33)36(14-5)15-6/h16-27H,10-15H2,1-9H3.
What are the key properties of 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline?
4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline has a molecular weight of 622.05 g/mol, XLogP of 5.53, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(diethylamino)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl]-N,N-diethylaniline is sourced from PubChem (CID 68656752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).