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

C57H36N4O2 — CID 138576044

IUPAC2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3ccccc3-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C57H36N4O2/c1-4-17-37(18-5-1)54-59-55(40-20-16-19-39(35-40)48-29-14-15-34-58-48)61-56(60-54)44-26-11-10-25-43(44)38-30-32-49-51(36-38)62-50-33-31-47-52(53(50)63-49)45-27-12-13-28-46(45)57(47,41-21-6-2-7-22-41)42-23-8-3-9-24-42/h1-36H
InChIKeyDGAOESKFKPVRKG-UHFFFAOYSA-N
MW808.94 g/mol
LogP13.86
Rot. Bonds7

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

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 138576044) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID138576044
Molecular FormulaC57H36N4O2
Molecular Weight808.94 g/mol
Exact Mass808.28
IUPAC Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3ccccc3-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C57H36N4O2/c1-4-17-37(18-5-1)54-59-55(40-20-16-19-39(35-40)48-29-14-15-34-58-48)61-56(60-54)44-26-11-10-25-43(44)38-30-32-49-51(36-38)62-50-33-31-47-52(53(50)63-49)45-27-12-13-28-46(45)57(47,41-21-6-2-7-22-41)42-23-8-3-9-24-42/h1-36H
InChIKeyDGAOESKFKPVRKG-UHFFFAOYSA-N
XLogP13.86
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.94
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 138575816
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575578
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-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
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-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185

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-pyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-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-pyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3ccccc3-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is DGAOESKFKPVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-4-17-37(18-5-1)54-59-55(40-20-16-19-39(35-40)48-29-14-15-34-58-48)61-56(60-54)44-26-11-10-25-43(44)38-30-32-49-51(36-38)62-50-33-31-47-52(53(50)63-49)45-27-12-13-28-46(45)57(47,41-21-6-2-7-22-41)42-23-8-3-9-24-42/h1-36H.
What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine?
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 808.94 g/mol, XLogP of 13.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138576044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).