2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine

C39H26O4 — CID 121441918

IUPAC2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
SMILESCC1(C)Oc2ccc(-c3cccc4oc5ccccc5c34)cc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2O1
InChIInChI=1S/C39H26O4/c1-39(2)42-33-19-17-23(25-11-7-15-35-37(25)27-9-3-5-13-31(27)40-35)21-29(33)30-22-24(18-20-34(30)43-39)26-12-8-16-36-38(26)28-10-4-6-14-32(28)41-36/h3-22H,1-2H3
InChIKeyUODYTAIYWFRJCA-UHFFFAOYSA-N
MW558.63 g/mol
LogP10.99
Rot. Bonds2

About 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine

2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine (PubChem CID 121441918) has the molecular formula C39H26O4 and a molecular weight of 558.63 g/mol. Its IUPAC name is 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
PubChem CID121441918
Molecular FormulaC39H26O4
Molecular Weight558.63 g/mol
Exact Mass558.18
IUPAC Name2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
SMILESCC1(C)Oc2ccc(-c3cccc4oc5ccccc5c34)cc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2O1
InChIInChI=1S/C39H26O4/c1-39(2)42-33-19-17-23(25-11-7-15-35-37(25)27-9-3-5-13-31(27)40-35)21-29(33)30-22-24(18-20-34(30)43-39)26-12-8-16-36-38(26)28-10-4-6-14-32(28)41-36/h3-22H,1-2H3
InChIKeyUODYTAIYWFRJCA-UHFFFAOYSA-N
XLogP10.99
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine with MolForge

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Related Compounds

3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441859
2,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441915
10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441902
3-dibenzofuran-3-yl-10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441856
3-dibenzofuran-1-yl-6,6-dimethyl-10-(7-methyl-6,7-dihydrodibenzofuran-2-yl)benzo[d][1,3]benzodioxepine
CID 163576342
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441800
3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine
CID 163932963
2-(6,6-dimethylbenzo[d][1,3]benzodioxepin-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 90249410
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596

Frequently Asked Questions

What is the IUPAC name of 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The IUPAC name of 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine (CID 121441918) is 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine.
What is the SMILES notation for 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The canonical SMILES for 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine is CC1(C)Oc2ccc(-c3cccc4oc5ccccc5c34)cc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2O1.
What is the InChIKey of 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The InChIKey is UODYTAIYWFRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26O4/c1-39(2)42-33-19-17-23(25-11-7-15-35-37(25)27-9-3-5-13-31(27)40-35)21-29(33)30-22-24(18-20-34(30)43-39)26-12-8-16-36-38(26)28-10-4-6-14-32(28)41-36/h3-22H,1-2H3.
What are the key properties of 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine has a molecular weight of 558.63 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine is sourced from PubChem (CID 121441918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).