3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine

C22H21NSe — CID 59573436

IUPAC3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
SMILESCc1cc(C)c(N2c3ccccc3[Se]c3cc(C)ccc32)c(C)c1
InChIInChI=1S/C22H21NSe/c1-14-9-10-19-21(13-14)24-20-8-6-5-7-18(20)23(19)22-16(3)11-15(2)12-17(22)4/h5-13H,1-4H3
InChIKeyDLBRJUBJQATYHW-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.36
Rot. Bonds1

About 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine

3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine (PubChem CID 59573436) has the molecular formula C22H21NSe and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine.

Molecular Properties

Compound Name3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
PubChem CID59573436
Molecular FormulaC22H21NSe
Molecular Weight378.38 g/mol
Exact Mass379.08
IUPAC Name3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
SMILESCc1cc(C)c(N2c3ccccc3[Se]c3cc(C)ccc32)c(C)c1
InChIInChI=1S/C22H21NSe/c1-14-9-10-19-21(13-14)24-20-8-6-5-7-18(20)23(19)22-16(3)11-15(2)12-17(22)4/h5-13H,1-4H3
InChIKeyDLBRJUBJQATYHW-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
CID 59573417
10-(4-methyl-2-phenylphenyl)phenoselenazine
CID 59572997
3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572240
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
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
CID 59572426
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
2,7-dimethyl-10-(2,4,6-trimethylphenyl)furo[2,3-b][1]benzazepine
CID 59573274
11-(4-tert-butyl-2,6-dimethylphenyl)-3,8-dimethylbenzo[c][1,2,5]benzotriazepine
CID 59573100
CID 59380818
CID 59380818
10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153440642
10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
CID 59184123

Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine?
The IUPAC name of 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine (CID 59573436) is 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine.
What is the SMILES notation for 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine?
The canonical SMILES for 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine is Cc1cc(C)c(N2c3ccccc3[Se]c3cc(C)ccc32)c(C)c1.
What is the InChIKey of 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine?
The InChIKey is DLBRJUBJQATYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NSe/c1-14-9-10-19-21(13-14)24-20-8-6-5-7-18(20)23(19)22-16(3)11-15(2)12-17(22)4/h5-13H,1-4H3.
What are the key properties of 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine?
3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine has a molecular weight of 378.38 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine is sourced from PubChem (CID 59573436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).