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

C21H21NOSe — CID 59572210

IUPAC2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
SMILESCc1cc(C)c(N2c3ccc(C)cc3[Se]c3cc(C)oc32)c(C)c1
InChIInChI=1S/C21H21NOSe/c1-12-6-7-17-18(10-12)24-19-11-16(5)23-21(19)22(17)20-14(3)8-13(2)9-15(20)4/h6-11H,1-5H3
InChIKeyJQAIJDJOOBUGAR-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.26
Rot. Bonds1

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

2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine (PubChem CID 59572210) has the molecular formula C21H21NOSe and a molecular weight of 382.37 g/mol. Its IUPAC name is 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine.

Molecular Properties

Compound Name2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
PubChem CID59572210
Molecular FormulaC21H21NOSe
Molecular Weight382.37 g/mol
Exact Mass383.08
IUPAC Name2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
SMILESCc1cc(C)c(N2c3ccc(C)cc3[Se]c3cc(C)oc32)c(C)c1
InChIInChI=1S/C21H21NOSe/c1-12-6-7-17-18(10-12)24-19-11-16(5)23-21(19)22(17)20-14(3)8-13(2)9-15(20)4/h6-11H,1-5H3
InChIKeyJQAIJDJOOBUGAR-UHFFFAOYSA-N
XLogP4.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.26
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

(3Z)-3-[(5-methylfuran-2-yl)methylidene]-1-phenylindol-2-one
CID 964058
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 6214807
4-(Furan-2-yl)-6-methyl-1-(4-methylphenyl)quinolin-2-one
CID 166442547
3-methyl-N,N,5-triphenylfuran-2-amine
CID 176428310
(2E)-1-(3,4-dihydroquinolin-1(2H)-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 712985
(E)-3-(furan-2-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 26083911
3-[(5-Methylfuran-2-yl)methylidene]-1-phenylindol-2-one
CID 4883162
5-methyl-N,N-bis(4-methylphenyl)furan-2-amine
CID 57589331
3,4,5-trimethyl-N,N-diphenylfuran-2-amine
CID 57914014
2-Methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572214
2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline
CID 59572219
2,7-Dimethyl-10-(2-phenylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572264

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
The IUPAC name of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine (CID 59572210) is 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine.
What is the SMILES notation for 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
The canonical SMILES for 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine is Cc1cc(C)c(N2c3ccc(C)cc3[Se]c3cc(C)oc32)c(C)c1.
What is the InChIKey of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
The InChIKey is JQAIJDJOOBUGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOSe/c1-12-6-7-17-18(10-12)24-19-11-16(5)23-21(19)22(17)20-14(3)8-13(2)9-15(20)4/h6-11H,1-5H3.
What are the key properties of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine?
2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine has a molecular weight of 382.37 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine is sourced from PubChem (CID 59572210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).