10-(4-methyl-2-phenylphenyl)phenoselenazine

C25H19NSe — CID 59572997

IUPAC10-(4-methyl-2-phenylphenyl)phenoselenazine
SMILESCc1ccc(N2c3ccccc3[Se]c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H19NSe/c1-18-15-16-21(20(17-18)19-9-3-2-4-10-19)26-22-11-5-7-13-24(22)27-25-14-8-6-12-23(25)26/h2-17H,1H3
InChIKeyYQSHYZDBWVOKEK-UHFFFAOYSA-N
MW412.39 g/mol
LogP5.10
Rot. Bonds2

About 10-(4-methyl-2-phenylphenyl)phenoselenazine

10-(4-methyl-2-phenylphenyl)phenoselenazine (PubChem CID 59572997) has the molecular formula C25H19NSe and a molecular weight of 412.39 g/mol. Its IUPAC name is 10-(4-methyl-2-phenylphenyl)phenoselenazine.

Molecular Properties

Compound Name10-(4-methyl-2-phenylphenyl)phenoselenazine
PubChem CID59572997
Molecular FormulaC25H19NSe
Molecular Weight412.39 g/mol
Exact Mass413.07
IUPAC Name10-(4-methyl-2-phenylphenyl)phenoselenazine
SMILESCc1ccc(N2c3ccccc3[Se]c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H19NSe/c1-18-15-16-21(20(17-18)19-9-3-2-4-10-19)26-22-11-5-7-13-24(22)27-25-14-8-6-12-23(25)26/h2-17H,1H3
InChIKeyYQSHYZDBWVOKEK-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.39
LogP ≤ 55.10
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

10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
CID 59573421
3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
CID 59573436
2-methyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoselenazine
CID 59573451
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59573371
9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
CID 59573145
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59573295
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075

Frequently Asked Questions

What is the IUPAC name of 10-(4-methyl-2-phenylphenyl)phenoselenazine?
The IUPAC name of 10-(4-methyl-2-phenylphenyl)phenoselenazine (CID 59572997) is 10-(4-methyl-2-phenylphenyl)phenoselenazine.
What is the SMILES notation for 10-(4-methyl-2-phenylphenyl)phenoselenazine?
The canonical SMILES for 10-(4-methyl-2-phenylphenyl)phenoselenazine is Cc1ccc(N2c3ccccc3[Se]c3ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 10-(4-methyl-2-phenylphenyl)phenoselenazine?
The InChIKey is YQSHYZDBWVOKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NSe/c1-18-15-16-21(20(17-18)19-9-3-2-4-10-19)26-22-11-5-7-13-24(22)27-25-14-8-6-12-23(25)26/h2-17H,1H3.
What are the key properties of 10-(4-methyl-2-phenylphenyl)phenoselenazine?
10-(4-methyl-2-phenylphenyl)phenoselenazine has a molecular weight of 412.39 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methyl-2-phenylphenyl)phenoselenazine is sourced from PubChem (CID 59572997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).