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

C34H20O2 — CID 177297745

IUPAC15-(2-dibenzofuran-4-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc-2c13
InChIInChI=1S/C34H20O2/c1-2-11-24(27-14-8-15-28-25-12-3-6-17-31(25)36-34(27)28)23(10-1)22-19-21-9-7-18-32-33(21)29(20-22)26-13-4-5-16-30(26)35-32/h1-20H
InChIKeySWTAREMKKXWWEN-UHFFFAOYSA-N
MW460.53 g/mol
LogP9.85
Rot. Bonds2

About 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

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 (PubChem CID 177297745) has the molecular formula C34H20O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-(2-dibenzofuran-4-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID177297745
Molecular FormulaC34H20O2
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name15-(2-dibenzofuran-4-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc-2c13
InChIInChI=1S/C34H20O2/c1-2-11-24(27-14-8-15-28-25-12-3-6-17-31(25)36-34(27)28)23(10-1)22-19-21-9-7-18-32-33(21)29(20-22)26-13-4-5-16-30(26)35-32/h1-20H
InChIKeySWTAREMKKXWWEN-UHFFFAOYSA-N
XLogP9.85
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

15-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177298111
1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran
CID 177298062
15-[4-(6-phenyldibenzofuran-4-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177299157
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
7-[5-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)thiophen-2-yl]naphtho[1,2-b][1]benzofuran
CID 177298582
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
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122493236
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
15-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177297900
11-dibenzofuran-4-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140684270
15-[4-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177127535
N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 174304804

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 177297745) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1cccc3cc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc-2c13.
What is the InChIKey of 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?
The InChIKey is SWTAREMKKXWWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O2/c1-2-11-24(27-14-8-15-28-25-12-3-6-17-31(25)36-34(27)28)23(10-1)22-19-21-9-7-18-32-33(21)29(20-22)26-13-4-5-16-30(26)35-32/h1-20H.
What are the key properties of 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?
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 has a molecular weight of 460.53 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177297745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).