7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran

C40H22O2 — CID 129100580

IUPAC7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5oc6cc(-c7cccc8c7oc7ccccc78)ccc6c45)ccc-2c13
InChIInChI=1S/C40H22O2/c1-2-9-26-25(8-1)29-12-6-13-30-27(20-21-32(26)38(29)30)31-14-7-17-36-39(31)34-19-18-23(22-37(34)41-36)24-11-5-15-33-28-10-3-4-16-35(28)42-40(24)33/h1-22H
InChIKeyVQEUDLGNSLKBFI-UHFFFAOYSA-N
MW534.61 g/mol
LogP11.62
Rot. Bonds2

About 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran

7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran (PubChem CID 129100580) has the molecular formula C40H22O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran.

Molecular Properties

Compound Name7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
PubChem CID129100580
Molecular FormulaC40H22O2
Molecular Weight534.61 g/mol
Exact Mass534.16
IUPAC Name7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5oc6cc(-c7cccc8c7oc7ccccc78)ccc6c45)ccc-2c13
InChIInChI=1S/C40H22O2/c1-2-9-26-25(8-1)29-12-6-13-30-27(20-21-32(26)38(29)30)31-14-7-17-36-39(31)34-19-18-23(22-37(34)41-36)24-11-5-15-33-28-10-3-4-16-35(28)42-40(24)33/h1-22H
InChIKeyVQEUDLGNSLKBFI-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
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
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
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
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
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-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
CID 143904910
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran?
The IUPAC name of 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran (CID 129100580) is 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran.
What is the SMILES notation for 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran?
The canonical SMILES for 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4cccc5oc6cc(-c7cccc8c7oc7ccccc78)ccc6c45)ccc-2c13.
What is the InChIKey of 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran?
The InChIKey is VQEUDLGNSLKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O2/c1-2-9-26-25(8-1)29-12-6-13-30-27(20-21-32(26)38(29)30)31-14-7-17-36-39(31)34-19-18-23(22-37(34)41-36)24-11-5-15-33-28-10-3-4-16-35(28)42-40(24)33/h1-22H.
What are the key properties of 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran?
7-dibenzofuran-4-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 7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran is sourced from PubChem (CID 129100580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).