10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine

C33H22N4Se — CID 153436698

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5[Se]c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C33H22N4Se/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h1-22H
InChIKeyVGCIUYJUXKVYCR-UHFFFAOYSA-N
MW553.53 g/mol
LogP6.31
Rot. Bonds4

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine (PubChem CID 153436698) has the molecular formula C33H22N4Se and a molecular weight of 553.53 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine
PubChem CID153436698
Molecular FormulaC33H22N4Se
Molecular Weight553.53 g/mol
Exact Mass554.10
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5[Se]c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C33H22N4Se/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h1-22H
InChIKeyVGCIUYJUXKVYCR-UHFFFAOYSA-N
XLogP6.31
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Tris(4-aminophenyl)-1,3,5-triazine
CID 1515256
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-spiro(acridine-9,9'-fluorene)
CID 132099800
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 102416899
N-[4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 139251198
N,4,6-triphenyl-1,3,5-triazin-2-amine
CID 35245
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 71007108
2-(4,6-diphenyl-1,3,5-triazine-2-yl)-N,N-di-p-tolylaniline
CID 132992977
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 132993147
4,4'-(1,2,4-thiadiazole-3,5-diyl)bis(N,N-diphenylaniline)
CID 135398461
10-[3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 156062187

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine (CID 153436698) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5[Se]c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine?
The InChIKey is VGCIUYJUXKVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4Se/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h1-22H.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine has a molecular weight of 553.53 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine is sourced from PubChem (CID 153436698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).