10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline

C29H29NSi — CID 4549869

IUPAC10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline
SMILESCc1ccc2c(c1)[Si](Cc1ccccc1)(Cc1ccccc1)c1cc(C)ccc1N2C
InChIInChI=1S/C29H29NSi/c1-22-14-16-26-28(18-22)31(20-24-10-6-4-7-11-24,21-25-12-8-5-9-13-25)29-19-23(2)15-17-27(29)30(26)3/h4-19H,20-21H2,1-3H3
InChIKeyVLSRSVFVBJRDFN-UHFFFAOYSA-N
MW419.64 g/mol
LogP5.51
Rot. Bonds4

About 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline

10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline (PubChem CID 4549869) has the molecular formula C29H29NSi and a molecular weight of 419.64 g/mol. Its IUPAC name is 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline
PubChem CID4549869
Molecular FormulaC29H29NSi
Molecular Weight419.64 g/mol
Exact Mass419.21
IUPAC Name10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline
SMILESCc1ccc2c(c1)[Si](Cc1ccccc1)(Cc1ccccc1)c1cc(C)ccc1N2C
InChIInChI=1S/C29H29NSi/c1-22-14-16-26-28(18-22)31(20-24-10-6-4-7-11-24,21-25-12-8-5-9-13-25)29-19-23(2)15-17-27(29)30(26)3/h4-19H,20-21H2,1-3H3
InChIKeyVLSRSVFVBJRDFN-UHFFFAOYSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline (CID 4549869) is 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline is Cc1ccc2c(c1)[Si](Cc1ccccc1)(Cc1ccccc1)c1cc(C)ccc1N2C.
What is the InChIKey of 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline?
The InChIKey is VLSRSVFVBJRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NSi/c1-22-14-16-26-28(18-22)31(20-24-10-6-4-7-11-24,21-25-12-8-5-9-13-25)29-19-23(2)15-17-27(29)30(26)3/h4-19H,20-21H2,1-3H3.
What are the key properties of 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline?
10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline has a molecular weight of 419.64 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dibenzyl-2,5,8-trimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 4549869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).