1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran

C40H22O2 — CID 129100765

IUPAC1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5c4oc4cccc(-c6ccc7oc8ccccc8c7c6)c45)ccc-2c13
InChIInChI=1S/C40H22O2/c1-2-9-26-25(8-1)29-12-5-13-30-27(19-20-31(26)38(29)30)32-14-6-15-33-39-24(11-7-17-37(39)42-40(32)33)23-18-21-36-34(22-23)28-10-3-4-16-35(28)41-36/h1-22H
InChIKeySPEOWBMUHVLDMP-UHFFFAOYSA-N
MW534.61 g/mol
LogP11.62
Rot. Bonds2

About 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran

1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran (PubChem CID 129100765) has the molecular formula C40H22O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
PubChem CID129100765
Molecular FormulaC40H22O2
Molecular Weight534.61 g/mol
Exact Mass534.16
IUPAC Name1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5c4oc4cccc(-c6ccc7oc8ccccc8c7c6)c45)ccc-2c13
InChIInChI=1S/C40H22O2/c1-2-9-26-25(8-1)29-12-5-13-30-27(19-20-31(26)38(29)30)32-14-6-15-33-39-24(11-7-17-37(39)42-40(32)33)23-18-21-36-34(22-23)28-10-3-4-16-35(28)41-36/h1-22H
InChIKeySPEOWBMUHVLDMP-UHFFFAOYSA-N
XLogP11.62
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164
2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 166945536

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran?
The IUPAC name of 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran (CID 129100765) is 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran.
What is the SMILES notation for 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran?
The canonical SMILES for 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4cccc5c4oc4cccc(-c6ccc7oc8ccccc8c7c6)c45)ccc-2c13.
What is the InChIKey of 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran?
The InChIKey is SPEOWBMUHVLDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O2/c1-2-9-26-25(8-1)29-12-5-13-30-27(19-20-31(26)38(29)30)32-14-6-15-33-39-24(11-7-17-37(39)42-40(32)33)23-18-21-36-34(22-23)28-10-3-4-16-35(28)41-36/h1-22H.
What are the key properties of 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran?
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran has a molecular weight of 534.61 g/mol, XLogP of 11.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran is sourced from PubChem (CID 129100765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).