10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine

C45H32O3 — CID 121441869

IUPAC10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
SMILESCC1(C)Oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2O1
InChIInChI=1S/C45H32O3/c1-45(2)47-43-22-19-32(31-18-21-42-39(26-31)37-15-9-10-16-41(37)46-42)27-40(43)38-20-17-33(28-44(38)48-45)36-24-34(29-11-5-3-6-12-29)23-35(25-36)30-13-7-4-8-14-30/h3-28H,1-2H3
InChIKeyGDEQHADEMPGPFS-UHFFFAOYSA-N
MW620.75 g/mol
LogP12.43
Rot. Bonds4

About 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine

10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine (PubChem CID 121441869) has the molecular formula C45H32O3 and a molecular weight of 620.75 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
PubChem CID121441869
Molecular FormulaC45H32O3
Molecular Weight620.75 g/mol
Exact Mass620.24
IUPAC Name10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
SMILESCC1(C)Oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2O1
InChIInChI=1S/C45H32O3/c1-45(2)47-43-22-19-32(31-18-21-42-39(26-31)37-15-9-10-16-41(37)46-42)27-40(43)38-20-17-33(28-44(38)48-45)36-24-34(29-11-5-3-6-12-29)23-35(25-36)30-13-7-4-8-14-30/h3-28H,1-2H3
InChIKeyGDEQHADEMPGPFS-UHFFFAOYSA-N
XLogP12.43
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-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
3-[3-(3-dibenzofuran-2-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441866
4-(3-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-2,6-diphenylpyridine
CID 121441844
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-[3-(3-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441841
3-[3-(10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441909
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
3-dibenzofuran-1-yl-6,6-dimethyl-10-(7-methyl-6,7-dihydrodibenzofuran-2-yl)benzo[d][1,3]benzodioxepine
CID 163576342
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The IUPAC name of 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine (CID 121441869) is 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine.
What is the SMILES notation for 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The canonical SMILES for 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine is CC1(C)Oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2O1.
What is the InChIKey of 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
The InChIKey is GDEQHADEMPGPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O3/c1-45(2)47-43-22-19-32(31-18-21-42-39(26-31)37-15-9-10-16-41(37)46-42)27-40(43)38-20-17-33(28-44(38)48-45)36-24-34(29-11-5-3-6-12-29)23-35(25-36)30-13-7-4-8-14-30/h3-28H,1-2H3.
What are the key properties of 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine?
10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine has a molecular weight of 620.75 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine is sourced from PubChem (CID 121441869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).