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

C58H37N3O2 — CID 138576122

IUPAC2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)c2)cc1
InChIInChI=1S/C58H37N3O2/c1-5-18-38(19-6-1)40-22-17-23-42(36-40)56-59-55(39-20-7-2-8-21-39)60-57(61-56)46-29-14-13-28-45(46)41-32-34-50-52(37-41)62-51-35-33-49-53(54(51)63-50)47-30-15-16-31-48(47)58(49,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h1-37H
InChIKeyDIOGXYXRLCBJCY-UHFFFAOYSA-N
MW807.95 g/mol
LogP14.47
Rot. Bonds7

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

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 138576122) 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-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID138576122
Molecular FormulaC58H37N3O2
Molecular Weight807.95 g/mol
Exact Mass807.29
IUPAC Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)c2)cc1
InChIInChI=1S/C58H37N3O2/c1-5-18-38(19-6-1)40-22-17-23-42(36-40)56-59-55(39-20-7-2-8-21-39)60-57(61-56)46-29-14-13-28-45(46)41-32-34-50-52(37-41)62-51-35-33-49-53(54(51)63-50)47-30-15-16-31-48(47)58(49,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h1-37H
InChIKeyDIOGXYXRLCBJCY-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

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-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
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-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138576130
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575186
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 138576122) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is DIOGXYXRLCBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O2/c1-5-18-38(19-6-1)40-22-17-23-42(36-40)56-59-55(39-20-7-2-8-21-39)60-57(61-56)46-29-14-13-28-45(46)41-32-34-50-52(37-41)62-51-35-33-49-53(54(51)63-50)47-30-15-16-31-48(47)58(49,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h1-37H.
What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-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-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138576122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).