2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran

C36H20O4 — CID 90250402

IUPAC2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
SMILESc1ccc2c(c1)oc1ccc(Oc3ccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C36H20O4/c1-3-7-31-25(5-1)27-17-21(9-13-33(27)38-31)22-10-14-34-28(18-22)30-20-24(12-16-36(30)40-34)37-23-11-15-35-29(19-23)26-6-2-4-8-32(26)39-35/h1-20H
InChIKeyKANXKMJXQWQFHM-UHFFFAOYSA-N
MW516.55 g/mol
LogP10.84
Rot. Bonds3

About 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran

2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran (PubChem CID 90250402) has the molecular formula C36H20O4 and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
PubChem CID90250402
Molecular FormulaC36H20O4
Molecular Weight516.55 g/mol
Exact Mass516.14
IUPAC Name2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
SMILESc1ccc2c(c1)oc1ccc(Oc3ccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C36H20O4/c1-3-7-31-25(5-1)27-17-21(9-13-33(27)38-31)22-10-14-34-28(18-22)30-20-24(12-16-36(30)40-34)37-23-11-15-35-29(19-23)26-6-2-4-8-32(26)39-35/h1-20H
InChIKeyKANXKMJXQWQFHM-UHFFFAOYSA-N
XLogP10.84
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 88594610
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
CID 67500547
CID 67500547
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
CID 90291993
CID 90291993
1-dibenzofuran-2-yloxydibenzofuran-2-ol
CID 135058246
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
6-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 142487676
2-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 169293505
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
CID 157315536
CID 157315536

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran?
The IUPAC name of 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran (CID 90250402) is 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran.
What is the SMILES notation for 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran?
The canonical SMILES for 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran is c1ccc2c(c1)oc1ccc(Oc3ccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)cc12.
What is the InChIKey of 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran?
The InChIKey is KANXKMJXQWQFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20O4/c1-3-7-31-25(5-1)27-17-21(9-13-33(27)38-31)22-10-14-34-28(18-22)30-20-24(12-16-36(30)40-34)37-23-11-15-35-29(19-23)26-6-2-4-8-32(26)39-35/h1-20H.
What are the key properties of 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran?
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran has a molecular weight of 516.55 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran is sourced from PubChem (CID 90250402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).