2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine

C39H29NO2 — CID 138576058

IUPAC2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2-c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(C)C)O3)n1
InChIInChI=1S/C39H29NO2/c1-24-22-26(25-12-5-4-6-13-25)23-33(40-24)28-15-8-7-14-27(28)29-17-11-19-34-37(29)42-38-35(41-34)21-20-32-36(38)30-16-9-10-18-31(30)39(32,2)3/h4-23H,1-3H3
InChIKeyIJGAPHNCBGFZDN-UHFFFAOYSA-N
MW543.67 g/mol
LogP10.60
Rot. Bonds3

About 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine

2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine (PubChem CID 138576058) has the molecular formula C39H29NO2 and a molecular weight of 543.67 g/mol. Its IUPAC name is 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine.

Molecular Properties

Compound Name2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine
PubChem CID138576058
Molecular FormulaC39H29NO2
Molecular Weight543.67 g/mol
Exact Mass543.22
IUPAC Name2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2-c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(C)C)O3)n1
InChIInChI=1S/C39H29NO2/c1-24-22-26(25-12-5-4-6-13-25)23-33(40-24)28-15-8-7-14-27(28)29-17-11-19-34-37(29)42-38-35(41-34)21-20-32-36(38)30-16-9-10-18-31(30)39(32,2)3/h4-23H,1-3H3
InChIKeyIJGAPHNCBGFZDN-UHFFFAOYSA-N
XLogP10.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
CID 138575977
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575721
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenanthren-2-yl-2-phenylpyrimidine
CID 138576184
4-(4-buta-1,3-dien-2-ylphenyl)-2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(4-phenylphenyl)pyrimidine
CID 138575970
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138576199
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 138575300
2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138576172
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine?
The IUPAC name of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine (CID 138576058) is 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine.
What is the SMILES notation for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine?
The canonical SMILES for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine is Cc1cc(-c2ccccc2)cc(-c2ccccc2-c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(C)C)O3)n1.
What is the InChIKey of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine?
The InChIKey is IJGAPHNCBGFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO2/c1-24-22-26(25-12-5-4-6-13-25)23-33(40-24)28-15-8-7-14-27(28)29-17-11-19-34-37(29)42-38-35(41-34)21-20-32-36(38)30-16-9-10-18-31(30)39(32,2)3/h4-23H,1-3H3.
What are the key properties of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine?
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine has a molecular weight of 543.67 g/mol, XLogP of 10.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine is sourced from PubChem (CID 138576058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).