2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C58H37N3O2 — CID 138575185

IUPAC2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H37N3O2/c1-5-18-38(19-6-1)39-32-34-41(35-33-39)56-59-55(40-20-7-2-8-21-40)60-57(61-56)46-27-14-13-26-44(46)45-29-17-31-50-53(45)62-51-37-36-49-52(54(51)63-50)47-28-15-16-30-48(47)58(49,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-37H
InChIKeyYLZYFZLUQAQJTK-UHFFFAOYSA-N
MW807.95 g/mol
LogP14.47
Rot. Bonds7

About 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 138575185) has the molecular formula C58H37N3O2 and a molecular weight of 807.95 g/mol. Its IUPAC name is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID138575185
Molecular FormulaC58H37N3O2
Molecular Weight807.95 g/mol
Exact Mass807.29
IUPAC Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H37N3O2/c1-5-18-38(19-6-1)39-32-34-41(35-33-39)56-59-55(40-20-7-2-8-21-40)60-57(61-56)46-27-14-13-26-44(46)45-29-17-31-50-53(45)62-51-37-36-49-52(54(51)63-50)47-28-15-16-30-48(47)58(49,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-37H
InChIKeyYLZYFZLUQAQJTK-UHFFFAOYSA-N
XLogP14.47
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.95
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575186
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138575034
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575578
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
3-[3-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 138576048
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 138575185) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YLZYFZLUQAQJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O2/c1-5-18-38(19-6-1)39-32-34-41(35-33-39)56-59-55(40-20-7-2-8-21-40)60-57(61-56)46-27-14-13-26-44(46)45-29-17-31-50-53(45)62-51-37-36-49-52(54(51)63-50)47-28-15-16-30-48(47)58(49,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-37H.
What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 807.95 g/mol, XLogP of 14.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138575185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).