2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene

C31H19ClO2 — CID 138575019

IUPAC2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
SMILESClc1ccc2c(c1)Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2
InChIInChI=1S/C31H19ClO2/c32-22-15-17-26-28(19-22)34-30-27(33-26)18-16-25-29(30)23-13-7-8-14-24(23)31(25,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H
InChIKeyLYLNVPRDRQOSDW-UHFFFAOYSA-N
MW458.94 g/mol
LogP8.60
Rot. Bonds2

About 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene

2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene (PubChem CID 138575019) has the molecular formula C31H19ClO2 and a molecular weight of 458.94 g/mol. Its IUPAC name is 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene.

Molecular Properties

Compound Name2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
PubChem CID138575019
Molecular FormulaC31H19ClO2
Molecular Weight458.94 g/mol
Exact Mass458.11
IUPAC Name2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
SMILESClc1ccc2c(c1)Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2
InChIInChI=1S/C31H19ClO2/c32-22-15-17-26-28(19-22)34-30-27(33-26)18-16-25-29(30)23-13-7-8-14-24(23)31(25,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H
InChIKeyLYLNVPRDRQOSDW-UHFFFAOYSA-N
XLogP8.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.94
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138581719
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine
CID 142560749
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-2-yl)phenyl]-4,6-diphenylpyridine
CID 138575483
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
CID 138576075
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
CID 138576055
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene?
The IUPAC name of 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene (CID 138575019) is 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene.
What is the SMILES notation for 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene?
The canonical SMILES for 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene is Clc1ccc2c(c1)Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2.
What is the InChIKey of 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene?
The InChIKey is LYLNVPRDRQOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClO2/c32-22-15-17-26-28(19-22)34-30-27(33-26)18-16-25-29(30)23-13-7-8-14-24(23)31(25,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H.
What are the key properties of 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene?
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene has a molecular weight of 458.94 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene is sourced from PubChem (CID 138575019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).