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

C40H22O2 — CID 129100596

IUPAC6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)ccc-2c13
InChIInChI=1S/C40H22O2/c1-2-9-26-25(8-1)30-12-6-13-31-27(20-21-33(26)38(30)31)32-14-7-17-36-39(32)34-15-5-11-24(40(34)42-36)23-18-19-29-28-10-3-4-16-35(28)41-37(29)22-23/h1-22H
InChIKeyBZAHLRWAANSGGI-UHFFFAOYSA-N
MW534.61 g/mol
LogP11.62
Rot. Bonds2

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

6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran (PubChem CID 129100596) has the molecular formula C40H22O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran.

Molecular Properties

Compound Name6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
PubChem CID129100596
Molecular FormulaC40H22O2
Molecular Weight534.61 g/mol
Exact Mass534.16
IUPAC Name6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)ccc-2c13
InChIInChI=1S/C40H22O2/c1-2-9-26-25(8-1)30-12-6-13-31-27(20-21-33(26)38(30)31)32-14-7-17-36-39(32)34-15-5-11-24(40(34)42-36)23-18-19-29-28-10-3-4-16-35(28)41-37(29)22-23/h1-22H
InChIKeyBZAHLRWAANSGGI-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

7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
CID 143904910
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100766
1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran
CID 170363843
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 138519716

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran?
The IUPAC name of 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran (CID 129100596) is 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran.
What is the SMILES notation for 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran?
The canonical SMILES for 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4cccc5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)ccc-2c13.
What is the InChIKey of 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran?
The InChIKey is BZAHLRWAANSGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O2/c1-2-9-26-25(8-1)30-12-6-13-31-27(20-21-33(26)38(30)31)32-14-7-17-36-39(32)34-15-5-11-24(40(34)42-36)23-18-19-29-28-10-3-4-16-35(28)41-37(29)22-23/h1-22H.
What are the key properties of 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran?
6-dibenzofuran-3-yl-1-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 6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran is sourced from PubChem (CID 129100596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).