9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine

C19H17NOSe — CID 59573417

IUPAC9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
SMILESCc1cc(C)c(N2c3ccccc3[Se]c3ccoc32)c(C)c1
InChIInChI=1S/C19H17NOSe/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-16(15)22-17-8-9-21-19(17)20/h4-11H,1-3H3
InChIKeyNRZWGEVFXDXRJJ-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.64
Rot. Bonds1

About 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine

9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine (PubChem CID 59573417) has the molecular formula C19H17NOSe and a molecular weight of 354.31 g/mol. Its IUPAC name is 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine.

Molecular Properties

Compound Name9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
PubChem CID59573417
Molecular FormulaC19H17NOSe
Molecular Weight354.31 g/mol
Exact Mass355.05
IUPAC Name9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
SMILESCc1cc(C)c(N2c3ccccc3[Se]c3ccoc32)c(C)c1
InChIInChI=1S/C19H17NOSe/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-16(15)22-17-8-9-21-19(17)20/h4-11H,1-3H3
InChIKeyNRZWGEVFXDXRJJ-UHFFFAOYSA-N
XLogP3.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
CID 59573436
9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
CID 59572347
10-(4-methyl-2-phenylphenyl)phenoselenazine
CID 59572997
CID 59380818
CID 59380818
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
2-methyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoselenazine
CID 59573451
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
5-(2,4,6-trimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59573379
2,7-dimethyl-10-(2,4,6-trimethylphenyl)furo[2,3-b][1]benzazepine
CID 59573274
9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
CID 59573255
9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine
CID 59572687
2',6'-dimethylspiro[8-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809022

Frequently Asked Questions

What is the IUPAC name of 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
The IUPAC name of 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine (CID 59573417) is 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine.
What is the SMILES notation for 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
The canonical SMILES for 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine is Cc1cc(C)c(N2c3ccccc3[Se]c3ccoc32)c(C)c1.
What is the InChIKey of 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
The InChIKey is NRZWGEVFXDXRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOSe/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-16(15)22-17-8-9-21-19(17)20/h4-11H,1-3H3.
What are the key properties of 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine has a molecular weight of 354.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine is sourced from PubChem (CID 59573417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).