5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline

C36H38N2SSi2 — CID 101479933

IUPAC5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline
SMILESCc1ccc2c(c1)[Si](C)(C)c1cc(-c3ccc(-c4ccc5c(c4)[Si](C)(C)c4cc(C)ccc4N5C)s3)ccc1N2C
InChIInChI=1S/C36H38N2SSi2/c1-23-9-13-27-33(19-23)40(5,6)35-21-25(11-15-29(35)37(27)3)31-17-18-32(39-31)26-12-16-30-36(22-26)41(7,8)34-20-24(2)10-14-28(34)38(30)4/h9-22H,1-8H3
InChIKeyCXJSNZDYLLDQBE-UHFFFAOYSA-N
MW586.95 g/mol
LogP7.51
Rot. Bonds2

About 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline

5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline (PubChem CID 101479933) has the molecular formula C36H38N2SSi2 and a molecular weight of 586.95 g/mol. Its IUPAC name is 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline
PubChem CID101479933
Molecular FormulaC36H38N2SSi2
Molecular Weight586.95 g/mol
Exact Mass586.23
IUPAC Name5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline
SMILESCc1ccc2c(c1)[Si](C)(C)c1cc(-c3ccc(-c4ccc5c(c4)[Si](C)(C)c4cc(C)ccc4N5C)s3)ccc1N2C
InChIInChI=1S/C36H38N2SSi2/c1-23-9-13-27-33(19-23)40(5,6)35-21-25(11-15-29(35)37(27)3)31-17-18-32(39-31)26-12-16-30-36(22-26)41(7,8)34-20-24(2)10-14-28(34)38(30)4/h9-22H,1-8H3
InChIKeyCXJSNZDYLLDQBE-UHFFFAOYSA-N
XLogP7.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.95
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline?
The IUPAC name of 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline (CID 101479933) is 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline.
What is the SMILES notation for 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline?
The canonical SMILES for 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline is Cc1ccc2c(c1)[Si](C)(C)c1cc(-c3ccc(-c4ccc5c(c4)[Si](C)(C)c4cc(C)ccc4N5C)s3)ccc1N2C.
What is the InChIKey of 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline?
The InChIKey is CXJSNZDYLLDQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2SSi2/c1-23-9-13-27-33(19-23)40(5,6)35-21-25(11-15-29(35)37(27)3)31-17-18-32(39-31)26-12-16-30-36(22-26)41(7,8)34-20-24(2)10-14-28(34)38(30)4/h9-22H,1-8H3.
What are the key properties of 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline?
5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline has a molecular weight of 586.95 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,10,10-tetramethyl-2-[5-(5,8,10,10-tetramethylbenzo[b][1,4]benzazasilin-2-yl)thiophen-2-yl]benzo[b][1,4]benzazasiline is sourced from PubChem (CID 101479933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).