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

C40H24O2 — CID 177298111

IUPAC15-[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
SMILESc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c1
InChIInChI=1S/C40H24O2/c1-4-16-37-32(11-1)34-14-7-13-31(40(34)42-37)26-20-18-25(19-21-26)27-8-5-9-28(22-27)30-23-29-10-6-17-38-39(29)35(24-30)33-12-2-3-15-36(33)41-38/h1-24H
InChIKeyDZJPICKULOXPED-UHFFFAOYSA-N
MW536.63 g/mol
LogP11.51
Rot. Bonds3

About 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

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 (PubChem CID 177298111) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-[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
PubChem CID177298111
Molecular FormulaC40H24O2
Molecular Weight536.63 g/mol
Exact Mass536.18
IUPAC Name15-[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
SMILESc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c1
InChIInChI=1S/C40H24O2/c1-4-16-37-32(11-1)34-14-7-13-31(40(34)42-37)26-20-18-25(19-21-26)27-8-5-9-28(22-27)30-23-29-10-6-17-38-39(29)35(24-30)33-12-2-3-15-36(33)41-38/h1-24H
InChIKeyDZJPICKULOXPED-UHFFFAOYSA-N
XLogP11.51
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
15-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177297908
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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c1.
What is the InChIKey of 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?
The InChIKey is DZJPICKULOXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c1-4-16-37-32(11-1)34-14-7-13-31(40(34)42-37)26-20-18-25(19-21-26)27-8-5-9-28(22-27)30-23-29-10-6-17-38-39(29)35(24-30)33-12-2-3-15-36(33)41-38/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 536.63 g/mol, XLogP of 11.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177298111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).