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

C35H24N4O2 — CID 138574917

IUPAC2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)ccc2O1
InChIInChI=1S/C35H24N4O2/c1-35(2)24-13-7-6-12-23(24)30-25(35)16-18-28-31(30)41-29-20-22(15-17-27(29)40-28)33-37-32(21-10-4-3-5-11-21)38-34(39-33)26-14-8-9-19-36-26/h3-20H,1-2H3
InChIKeyZLDXBYPYNNSSKW-UHFFFAOYSA-N
MW532.60 g/mol
LogP8.47
Rot. Bonds3

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

2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 138574917) has the molecular formula C35H24N4O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID138574917
Molecular FormulaC35H24N4O2
Molecular Weight532.60 g/mol
Exact Mass532.19
IUPAC Name2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)ccc2O1
InChIInChI=1S/C35H24N4O2/c1-35(2)24-13-7-6-12-23(24)30-25(35)16-18-28-31(30)41-29-20-22(15-17-27(29)40-28)33-37-32(21-10-4-3-5-11-21)38-34(39-33)26-14-8-9-19-36-26/h3-20H,1-2H3
InChIKeyZLDXBYPYNNSSKW-UHFFFAOYSA-N
XLogP8.47
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
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
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575751
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 138575293
4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173
4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576153

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 138574917) is 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)ccc2O1.
What is the InChIKey of 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is ZLDXBYPYNNSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4O2/c1-35(2)24-13-7-6-12-23(24)30-25(35)16-18-28-31(30)41-29-20-22(15-17-27(29)40-28)33-37-32(21-10-4-3-5-11-21)38-34(39-33)26-14-8-9-19-36-26/h3-20H,1-2H3.
What are the key properties of 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 532.60 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 138574917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).