3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine

C40H30O4 — CID 163932963

IUPAC3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine
SMILESCC1(C)OC2=CC(c3cccc4oc5ccccc5c34)=CCC2(C)c2cc(-c3cccc4oc5ccccc5c34)ccc2O1
InChIInChI=1S/C40H30O4/c1-39(2)43-33-19-18-24(26-12-8-16-34-37(26)28-10-4-6-14-31(28)41-34)22-30(33)40(3)21-20-25(23-36(40)44-39)27-13-9-17-35-38(27)29-11-5-7-15-32(29)42-35/h4-20,22-23H,21H2,1-3H3
InChIKeyRKGMESXFQJLYHL-UHFFFAOYSA-N
MW574.68 g/mol
LogP10.93
Rot. Bonds2

About 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine

3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine (PubChem CID 163932963) has the molecular formula C40H30O4 and a molecular weight of 574.68 g/mol. Its IUPAC name is 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine
PubChem CID163932963
Molecular FormulaC40H30O4
Molecular Weight574.68 g/mol
Exact Mass574.21
IUPAC Name3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine
SMILESCC1(C)OC2=CC(c3cccc4oc5ccccc5c34)=CCC2(C)c2cc(-c3cccc4oc5ccccc5c34)ccc2O1
InChIInChI=1S/C40H30O4/c1-39(2)43-33-19-18-24(26-12-8-16-34-37(26)28-10-4-6-14-31(28)41-34)22-30(33)40(3)21-20-25(23-36(40)44-39)27-13-9-17-35-38(27)29-11-5-7-15-32(29)42-35/h4-20,22-23H,21H2,1-3H3
InChIKeyRKGMESXFQJLYHL-UHFFFAOYSA-N
XLogP10.93
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine with MolForge

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Related Compounds

2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441859
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441902
2,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441915
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441800
3-dibenzofuran-1-yl-6,6-dimethyl-10-(7-methyl-6,7-dihydrodibenzofuran-2-yl)benzo[d][1,3]benzodioxepine
CID 163576342
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201

Frequently Asked Questions

What is the IUPAC name of 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine?
The IUPAC name of 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine (CID 163932963) is 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine.
What is the SMILES notation for 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine?
The canonical SMILES for 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine is CC1(C)OC2=CC(c3cccc4oc5ccccc5c34)=CCC2(C)c2cc(-c3cccc4oc5ccccc5c34)ccc2O1.
What is the InChIKey of 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine?
The InChIKey is RKGMESXFQJLYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O4/c1-39(2)43-33-19-18-24(26-12-8-16-34-37(26)28-10-4-6-14-31(28)41-34)22-30(33)40(3)21-20-25(23-36(40)44-39)27-13-9-17-35-38(27)29-11-5-7-15-32(29)42-35/h4-20,22-23H,21H2,1-3H3.
What are the key properties of 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine?
3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine has a molecular weight of 574.68 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-di(dibenzofuran-1-yl)-6,6,11b-trimethyl-1H-benzo[d][1,3]benzodioxepine is sourced from PubChem (CID 163932963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).