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

C37H22O4 — CID 121441802

IUPAC10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3OCO4)cc12
InChIInChI=1S/C37H22O4/c1-4-11-35-26(6-1)28-9-5-8-25(37(28)41-35)24-14-16-33-31(20-24)30-19-22(12-15-32(30)38-21-39-33)23-13-17-36-29(18-23)27-7-2-3-10-34(27)40-36/h1-20H,21H2
InChIKeyFXMFVTFEGFKHBT-UHFFFAOYSA-N
MW530.58 g/mol
LogP10.22
Rot. Bonds2

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

10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine (PubChem CID 121441802) has the molecular formula C37H22O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
PubChem CID121441802
Molecular FormulaC37H22O4
Molecular Weight530.58 g/mol
Exact Mass530.15
IUPAC Name10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3OCO4)cc12
InChIInChI=1S/C37H22O4/c1-4-11-35-26(6-1)28-9-5-8-25(37(28)41-35)24-14-16-33-31(20-24)30-19-22(12-15-32(30)38-21-39-33)23-13-17-36-29(18-23)27-7-2-3-10-34(27)40-36/h1-20H,21H2
InChIKeyFXMFVTFEGFKHBT-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-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441800
10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441902
4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine
CID 121441805
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
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-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-(28-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-[5,28,29-tri(dibenzofuran-4-yl)-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl]dibenzofuran;2-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;2-(4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 159395246
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
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
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
The IUPAC name of 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine (CID 121441802) is 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine.
What is the SMILES notation for 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
The canonical SMILES for 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3OCO4)cc12.
What is the InChIKey of 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
The InChIKey is FXMFVTFEGFKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22O4/c1-4-11-35-26(6-1)28-9-5-8-25(37(28)41-35)24-14-16-33-31(20-24)30-19-22(12-15-32(30)38-21-39-33)23-13-17-36-29(18-23)27-7-2-3-10-34(27)40-36/h1-20H,21H2.
What are the key properties of 10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine?
10-dibenzofuran-2-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-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine is sourced from PubChem (CID 121441802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).