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

C36H22O2 — CID 122629685

IUPAC10-(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
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc1-c1ccccc1-2
InChIInChI=1S/C36H22O2/c1-2-9-28-27(8-1)29-10-3-5-14-33(29)37-35-21-20-25(22-32(28)35)23-16-18-24(19-17-23)26-12-7-13-31-30-11-4-6-15-34(30)38-36(26)31/h1-22H
InChIKeyVVZPAGXOLDACSX-UHFFFAOYSA-N
MW486.57 g/mol
LogP10.36
Rot. Bonds2

About 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

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 (PubChem CID 122629685) has the molecular formula C36H22O2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID122629685
Molecular FormulaC36H22O2
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC Name10-(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
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc1-c1ccccc1-2
InChIInChI=1S/C36H22O2/c1-2-9-28-27(8-1)29-10-3-5-14-33(29)37-35-21-20-25(22-32(28)35)23-16-18-24(19-17-23)26-12-7-13-31-30-11-4-6-15-34(30)38-36(26)31/h1-22H
InChIKeyVVZPAGXOLDACSX-UHFFFAOYSA-N
XLogP10.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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CID 177298111
2-dibenzofuran-4-yl-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164937200
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CID 118220229
24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118145613
10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
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4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
15-(2-dibenzofuran-4-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
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10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
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CID 159612507

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc1-c1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is VVZPAGXOLDACSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O2/c1-2-9-28-27(8-1)29-10-3-5-14-33(29)37-35-21-20-25(22-32(28)35)23-16-18-24(19-17-23)26-12-7-13-31-30-11-4-6-15-34(30)38-36(26)31/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 486.57 g/mol, XLogP of 10.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122629685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).