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

C58H37NO2 — CID 138576075

IUPAC2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H37NO2/c1-4-17-38(18-5-1)41-35-51(59-52(36-41)47-29-16-20-39-19-10-11-25-44(39)47)46-27-13-12-26-45(46)40-31-33-53-55(37-40)61-57-54(60-53)34-32-50-56(57)48-28-14-15-30-49(48)58(50,42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-37H
InChIKeyDNQWKGFPGALQJU-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.16
Rot. Bonds6

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

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine (PubChem CID 138576075) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine.

Molecular Properties

Compound Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
PubChem CID138576075
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H37NO2/c1-4-17-38(18-5-1)41-35-51(59-52(36-41)47-29-16-20-39-19-10-11-25-44(39)47)46-27-13-12-26-45(46)40-31-33-53-55(37-40)61-57-54(60-53)34-32-50-56(57)48-28-14-15-30-49(48)58(50,42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-37H
InChIKeyDNQWKGFPGALQJU-UHFFFAOYSA-N
XLogP15.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
CID 138575483
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
CID 138574969
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138576130
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138575034
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine?
The IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine (CID 138576075) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine.
What is the SMILES notation for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine?
The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine is c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine?
The InChIKey is DNQWKGFPGALQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-4-17-38(18-5-1)41-35-51(59-52(36-41)47-29-16-20-39-19-10-11-25-44(39)47)46-27-13-12-26-45(46)40-31-33-53-55(37-40)61-57-54(60-53)34-32-50-56(57)48-28-14-15-30-49(48)58(50,42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-37H.
What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine?
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine has a molecular weight of 779.94 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine is sourced from PubChem (CID 138576075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).