2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine

C34H29N3Si — CID 90296239

IUPAC2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine
SMILESCC1(C)C2=C(c3ccccc31)[Si](C)(C)c1c2cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C34H29N3Si/c1-34(2)27-21-12-11-18-24(27)30-28(34)25-19-13-20-26(29(25)38(30,3)4)33-36-31(22-14-7-5-8-15-22)35-32(37-33)23-16-9-6-10-17-23/h5-21H,1-4H3
InChIKeyIFFKDQHCDJIKFV-UHFFFAOYSA-N
MW507.71 g/mol
LogP7.54
Rot. Bonds3

About 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine

2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine (PubChem CID 90296239) has the molecular formula C34H29N3Si and a molecular weight of 507.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine
PubChem CID90296239
Molecular FormulaC34H29N3Si
Molecular Weight507.71 g/mol
Exact Mass507.21
IUPAC Name2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine
SMILESCC1(C)C2=C(c3ccccc31)[Si](C)(C)c1c2cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C34H29N3Si/c1-34(2)27-21-12-11-18-24(27)30-28(34)25-19-13-20-26(29(25)38(30,3)4)33-36-31(22-14-7-5-8-15-22)35-32(37-33)23-16-9-6-10-17-23/h5-21H,1-4H3
InChIKeyIFFKDQHCDJIKFV-UHFFFAOYSA-N
XLogP7.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.71
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine (CID 90296239) is 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine is CC1(C)C2=C(c3ccccc31)[Si](C)(C)c1c2cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine?
The InChIKey is IFFKDQHCDJIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3Si/c1-34(2)27-21-12-11-18-24(27)30-28(34)25-19-13-20-26(29(25)38(30,3)4)33-36-31(22-14-7-5-8-15-22)35-32(37-33)23-16-9-6-10-17-23/h5-21H,1-4H3.
What are the key properties of 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine?
2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine has a molecular weight of 507.71 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine is sourced from PubChem (CID 90296239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).