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

C51H32N4O2 — CID 138575578

IUPAC2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C51H32N4O2/c1-4-15-34(16-5-1)48-53-49(55-50(54-48)42-24-12-13-32-52-42)35-28-26-33(27-29-35)38-22-14-25-43-46(38)57-47-44(56-43)31-30-41-45(47)39-21-10-11-23-40(39)51(41,36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-32H
InChIKeyYWLWAFUCAXWTAT-UHFFFAOYSA-N
MW732.84 g/mol
LogP12.20
Rot. Bonds6

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

2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 138575578) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID138575578
Molecular FormulaC51H32N4O2
Molecular Weight732.84 g/mol
Exact Mass732.25
IUPAC Name2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C51H32N4O2/c1-4-15-34(16-5-1)48-53-49(55-50(54-48)42-24-12-13-32-52-42)35-28-26-33(27-29-35)38-22-14-25-43-46(38)57-47-44(56-43)31-30-41-45(47)39-21-10-11-23-40(39)51(41,36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-32H
InChIKeyYWLWAFUCAXWTAT-UHFFFAOYSA-N
XLogP12.20
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 138575816
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-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575186
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138575034
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575029
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 138575578) is 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is YWLWAFUCAXWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-4-15-34(16-5-1)48-53-49(55-50(54-48)42-24-12-13-32-52-42)35-28-26-33(27-29-35)38-22-14-25-43-46(38)57-47-44(56-43)31-30-41-45(47)39-21-10-11-23-40(39)51(41,36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 732.84 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 138575578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).