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

C41H28N4O2 — CID 138575084

IUPAC2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3)cc2O1
InChIInChI=1S/C41H28N4O2/c1-41(2)30-13-7-6-12-29(30)36-31(41)20-22-34-37(36)47-33-21-19-28(24-35(33)46-34)25-15-17-27(18-16-25)39-43-38(26-10-4-3-5-11-26)44-40(45-39)32-14-8-9-23-42-32/h3-24H,1-2H3
InChIKeyGLELKMLPJDJNLG-UHFFFAOYSA-N
MW608.70 g/mol
LogP10.14
Rot. Bonds4

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

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 138575084) has the molecular formula C41H28N4O2 and a molecular weight of 608.70 g/mol. Its IUPAC name is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID138575084
Molecular FormulaC41H28N4O2
Molecular Weight608.70 g/mol
Exact Mass608.22
IUPAC Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3)cc2O1
InChIInChI=1S/C41H28N4O2/c1-41(2)30-13-7-6-12-29(30)36-31(41)20-22-34-37(36)47-33-21-19-28(24-35(33)46-34)25-15-17-27(18-16-25)39-43-38(26-10-4-3-5-11-26)44-40(45-39)32-14-8-9-23-42-32/h3-24H,1-2H3
InChIKeyGLELKMLPJDJNLG-UHFFFAOYSA-N
XLogP10.14
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-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-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
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-[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-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 138575293
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-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575553
4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 138575084) is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3)cc2O1.
What is the InChIKey of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is GLELKMLPJDJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2/c1-41(2)30-13-7-6-12-29(30)36-31(41)20-22-34-37(36)47-33-21-19-28(24-35(33)46-34)25-15-17-27(18-16-25)39-43-38(26-10-4-3-5-11-26)44-40(45-39)32-14-8-9-23-42-32/h3-24H,1-2H3.
What are the key properties of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 608.70 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 138575084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).