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

C37H22O4 — CID 121441800

IUPAC10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)-c3cc(-c5cccc6oc7ccccc7c56)ccc3OCO4)cccc12
InChIInChI=1S/C37H22O4/c1-3-12-33-26(7-1)27-11-5-10-25(37(27)41-33)23-16-18-32-30(20-23)29-19-22(15-17-31(29)38-21-39-32)24-9-6-14-35-36(24)28-8-2-4-13-34(28)40-35/h1-20H,21H2
InChIKeyCMAOOXKGTYUROZ-UHFFFAOYSA-N
MW530.58 g/mol
LogP10.22
Rot. Bonds2

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

10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine (PubChem CID 121441800) has the molecular formula C37H22O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
PubChem CID121441800
Molecular FormulaC37H22O4
Molecular Weight530.58 g/mol
Exact Mass530.15
IUPAC Name10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)-c3cc(-c5cccc6oc7ccccc7c56)ccc3OCO4)cccc12
InChIInChI=1S/C37H22O4/c1-3-12-33-26(7-1)27-11-5-10-25(37(27)41-33)23-16-18-32-30(20-23)29-19-22(15-17-31(29)38-21-39-32)24-9-6-14-35-36(24)28-8-2-4-13-34(28)40-35/h1-20H,21H2
InChIKeyCMAOOXKGTYUROZ-UHFFFAOYSA-N
XLogP10.22
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441802
4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine
CID 121441805
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441902
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine
CID 161054190
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
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
The IUPAC name of 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine (CID 121441800) is 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine.
What is the SMILES notation for 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
The canonical SMILES for 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine is c1ccc2c(c1)oc1c(-c3ccc4c(c3)-c3cc(-c5cccc6oc7ccccc7c56)ccc3OCO4)cccc12.
What is the InChIKey of 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
The InChIKey is CMAOOXKGTYUROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22O4/c1-3-12-33-26(7-1)27-11-5-10-25(37(27)41-33)23-16-18-32-30(20-23)29-19-22(15-17-31(29)38-21-39-32)24-9-6-14-35-36(24)28-8-2-4-13-34(28)40-35/h1-20H,21H2.
What are the key properties of 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine has a molecular weight of 530.58 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine is sourced from PubChem (CID 121441800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).