10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine

C39H26O4 — CID 121441902

IUPAC10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
SMILESCC1(C)Oc2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2O1
InChIInChI=1S/C39H26O4/c1-39(2)42-36-18-15-24(23-14-17-35-30(20-23)28-9-4-5-12-33(28)40-35)21-31(36)32-22-25(16-19-37(32)43-39)26-10-7-11-29-27-8-3-6-13-34(27)41-38(26)29/h3-22H,1-2H3
InChIKeyQEWCNJBEEGTPSA-UHFFFAOYSA-N
MW558.63 g/mol
LogP10.99
Rot. Bonds2

About 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine

10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine (PubChem CID 121441902) has the molecular formula C39H26O4 and a molecular weight of 558.63 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
PubChem CID121441902
Molecular FormulaC39H26O4
Molecular Weight558.63 g/mol
Exact Mass558.18
IUPAC Name10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
SMILESCC1(C)Oc2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2O1
InChIInChI=1S/C39H26O4/c1-39(2)42-36-18-15-24(23-14-17-35-30(20-23)28-9-4-5-12-33(28)40-35)21-31(36)32-22-25(16-19-37(32)43-39)26-10-7-11-29-27-8-3-6-13-34(27)41-38(26)29/h3-22H,1-2H3
InChIKeyQEWCNJBEEGTPSA-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 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine with MolForge

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Related Compounds

2,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441915
3-dibenzofuran-3-yl-10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441856
10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441802
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441869
3-[3-(3-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441841
3-dibenzofuran-2-yl-10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-2-yl-10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine;9-(3-dibenzofuran-2-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-3-isocyanocarbazole;3,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 160753548
10-(4-dibenzofuran-4-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122629685
3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441859
2-(3-dibenzofuran-2-yltetraphenylen-1-yl)dibenzofuran;2-(4-dibenzofuran-4-yltetraphenylen-2-yl)dibenzofuran;methane;2-(4-triphenylen-2-yltetraphenylen-2-yl)dibenzofuran
CID 157312944
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
CID 174178018

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The IUPAC name of 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine (CID 121441902) is 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine.
What is the SMILES notation for 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The canonical SMILES for 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine is CC1(C)Oc2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2O1.
What is the InChIKey of 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The InChIKey is QEWCNJBEEGTPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26O4/c1-39(2)42-36-18-15-24(23-14-17-35-30(20-23)28-9-4-5-12-33(28)40-35)21-31(36)32-22-25(16-19-37(32)43-39)26-10-7-11-29-27-8-3-6-13-34(27)41-38(26)29/h3-22H,1-2H3.
What are the key properties of 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine?
10-dibenzofuran-2-yl-2-dibenzofuran-4-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 10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine is sourced from PubChem (CID 121441902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).