2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine

C50H35NO2 — CID 138575977

IUPAC2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3ccccc3)n2)O1
InChIInChI=1S/C50H35NO2/c1-50(2)41-25-12-11-23-40(41)47-42(50)27-28-46-49(47)53-48-39(24-14-26-45(48)52-46)37-21-9-10-22-38(37)44-31-36(30-43(51-44)33-17-7-4-8-18-33)35-20-13-19-34(29-35)32-15-5-3-6-16-32/h3-31H,1-2H3
InChIKeyBANOAFICATXGAV-UHFFFAOYSA-N
MW681.84 g/mol
LogP13.62
Rot. Bonds5

About 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine

2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine (PubChem CID 138575977) has the molecular formula C50H35NO2 and a molecular weight of 681.84 g/mol. Its IUPAC name is 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
PubChem CID138575977
Molecular FormulaC50H35NO2
Molecular Weight681.84 g/mol
Exact Mass681.27
IUPAC Name2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3ccccc3)n2)O1
InChIInChI=1S/C50H35NO2/c1-50(2)41-25-12-11-23-40(41)47-42(50)27-28-46-49(47)53-48-39(24-14-26-45(48)52-46)37-21-9-10-22-38(37)44-31-36(30-43(51-44)33-17-7-4-8-18-33)35-20-13-19-34(29-35)32-15-5-3-6-16-32/h3-31H,1-2H3
InChIKeyBANOAFICATXGAV-UHFFFAOYSA-N
XLogP13.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine
CID 138576058
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575721
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 138575293
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-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenanthren-2-yl-2-phenylpyrimidine
CID 138576184
4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575553

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine?
The IUPAC name of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine (CID 138575977) is 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine.
What is the SMILES notation for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine?
The canonical SMILES for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3ccccc3)n2)O1.
What is the InChIKey of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine?
The InChIKey is BANOAFICATXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO2/c1-50(2)41-25-12-11-23-40(41)47-42(50)27-28-46-49(47)53-48-39(24-14-26-45(48)52-46)37-21-9-10-22-38(37)44-31-36(30-43(51-44)33-17-7-4-8-18-33)35-20-13-19-34(29-35)32-15-5-3-6-16-32/h3-31H,1-2H3.
What are the key properties of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine?
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine has a molecular weight of 681.84 g/mol, XLogP of 13.62, 5 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-phenyl-4-(3-phenylphenyl)pyridine is sourced from PubChem (CID 138575977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).