3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene

C31H19IO2 — CID 138581719

IUPAC3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
SMILESIc1ccc2c(c1)Oc1ccc3c(c1O2)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H19IO2/c32-22-15-17-26-28(19-22)33-27-18-16-25-29(30(27)34-26)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
InChIKeyAIDVFTRPCBLLBI-UHFFFAOYSA-N
MW550.40 g/mol
LogP8.55
Rot. Bonds2

About 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene

3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene (PubChem CID 138581719) has the molecular formula C31H19IO2 and a molecular weight of 550.40 g/mol. Its IUPAC name is 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene.

Molecular Properties

Compound Name3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
PubChem CID138581719
Molecular FormulaC31H19IO2
Molecular Weight550.40 g/mol
Exact Mass550.04
IUPAC Name3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
SMILESIc1ccc2c(c1)Oc1ccc3c(c1O2)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H19IO2/c32-22-15-17-26-28(19-22)33-27-18-16-25-29(30(27)34-26)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
InChIKeyAIDVFTRPCBLLBI-UHFFFAOYSA-N
XLogP8.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.40
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
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-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
CID 138575483
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
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-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
CID 138576075

Frequently Asked Questions

What is the IUPAC name of 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene?
The IUPAC name of 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene (CID 138581719) is 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene.
What is the SMILES notation for 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene?
The canonical SMILES for 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene is Ic1ccc2c(c1)Oc1ccc3c(c1O2)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene?
The InChIKey is AIDVFTRPCBLLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19IO2/c32-22-15-17-26-28(19-22)33-27-18-16-25-29(30(27)34-26)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 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene?
3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene has a molecular weight of 550.40 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene is sourced from PubChem (CID 138581719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).