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

C54H35NO2 — CID 138575483

IUPAC2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)c2)cc1
InChIInChI=1S/C54H35NO2/c1-5-17-36(18-6-1)39-33-47(37-19-7-2-8-20-37)55-48(34-39)43-26-14-13-25-42(43)38-29-31-49-51(35-38)57-53-50(56-49)32-30-46-52(53)44-27-15-16-28-45(44)54(46,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-35H
InChIKeyGZDNAKXIYYRASW-UHFFFAOYSA-N
MW729.88 g/mol
LogP14.01
Rot. Bonds6

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

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 138575483) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
PubChem CID138575483
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)c2)cc1
InChIInChI=1S/C54H35NO2/c1-5-17-36(18-6-1)39-33-47(37-19-7-2-8-20-37)55-48(34-39)43-26-14-13-25-42(43)38-29-31-49-51(35-38)57-53-50(56-49)32-30-46-52(53)44-27-15-16-28-45(44)54(46,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-35H
InChIKeyGZDNAKXIYYRASW-UHFFFAOYSA-N
XLogP14.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 514.01
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]-6-naphthalen-1-yl-4-phenylpyridine
CID 138576075
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
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
CID 138574969
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
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-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
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
3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138581719
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
3-[3-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 138576048

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine (CID 138575483) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)c2)cc1.
What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is GZDNAKXIYYRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-5-17-36(18-6-1)39-33-47(37-19-7-2-8-20-37)55-48(34-39)43-26-14-13-25-42(43)38-29-31-49-51(35-38)57-53-50(56-49)32-30-46-52(53)44-27-15-16-28-45(44)54(46,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-35H.
What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine?
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine has a molecular weight of 729.88 g/mol, XLogP of 14.01, 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]-4,6-diphenylpyridine is sourced from PubChem (CID 138575483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).