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

C44H31NO2 — CID 138575674

IUPAC2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)O1
InChIInChI=1S/C44H31NO2/c1-44(2)35-18-10-9-16-34(35)41-36(44)24-25-40-43(41)47-42-33(17-11-19-39(42)46-40)29-20-22-31(23-21-29)38-27-32(28-12-5-3-6-13-28)26-37(45-38)30-14-7-4-8-15-30/h3-27H,1-2H3
InChIKeyQYNKQFJDKDZSQL-UHFFFAOYSA-N
MW605.74 g/mol
LogP11.95
Rot. Bonds4

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

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 138575674) has the molecular formula C44H31NO2 and a molecular weight of 605.74 g/mol. Its IUPAC name is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
PubChem CID138575674
Molecular FormulaC44H31NO2
Molecular Weight605.74 g/mol
Exact Mass605.24
IUPAC Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)O1
InChIInChI=1S/C44H31NO2/c1-44(2)35-18-10-9-16-34(35)41-36(44)24-25-40-43(41)47-42-33(17-11-19-39(42)46-40)29-20-22-31(23-21-29)38-27-32(28-12-5-3-6-13-28)26-37(45-38)30-14-7-4-8-15-30/h3-27H,1-2H3
InChIKeyQYNKQFJDKDZSQL-UHFFFAOYSA-N
XLogP11.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine
CID 138576058
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138576199
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-[3-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575721
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
4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575553
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
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-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575270

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine (CID 138575674) is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)O1.
What is the InChIKey of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is QYNKQFJDKDZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NO2/c1-44(2)35-18-10-9-16-34(35)41-36(44)24-25-40-43(41)47-42-33(17-11-19-39(42)46-40)29-20-22-31(23-21-29)38-27-32(28-12-5-3-6-13-28)26-37(45-38)30-14-7-4-8-15-30/h3-27H,1-2H3.
What are the key properties of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine?
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine has a molecular weight of 605.74 g/mol, XLogP of 11.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 138575674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).