8-fluoranthen-3-yl-1-methyldibenzofuran

C29H18O — CID 145447322

IUPAC8-fluoranthen-3-yl-1-methyldibenzofuran
SMILESCc1cccc2oc3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c12
InChIInChI=1S/C29H18O/c1-17-6-4-11-27-28(17)25-16-18(12-15-26(25)30-27)19-13-14-24-21-8-3-2-7-20(21)23-10-5-9-22(19)29(23)24/h2-16H,1H3
InChIKeyQUNCIBJNGOISHM-UHFFFAOYSA-N
MW382.46 g/mol
LogP8.36
Rot. Bonds1

About 8-fluoranthen-3-yl-1-methyldibenzofuran

8-fluoranthen-3-yl-1-methyldibenzofuran (PubChem CID 145447322) has the molecular formula C29H18O and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-fluoranthen-3-yl-1-methyldibenzofuran.

Molecular Properties

Compound Name8-fluoranthen-3-yl-1-methyldibenzofuran
PubChem CID145447322
Molecular FormulaC29H18O
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name8-fluoranthen-3-yl-1-methyldibenzofuran
SMILESCc1cccc2oc3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c12
InChIInChI=1S/C29H18O/c1-17-6-4-11-27-28(17)25-16-18(12-15-26(25)30-27)19-13-14-24-21-8-3-2-7-20(21)23-10-5-9-22(19)29(23)24/h2-16H,1H3
InChIKeyQUNCIBJNGOISHM-UHFFFAOYSA-N
XLogP8.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
2-(2-methylphenyl)dibenzofuran
CID 118188503
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
2-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)dibenzofuran
CID 177297853
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
CID 156734737
2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
CID 143904910
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681

Frequently Asked Questions

What is the IUPAC name of 8-fluoranthen-3-yl-1-methyldibenzofuran?
The IUPAC name of 8-fluoranthen-3-yl-1-methyldibenzofuran (CID 145447322) is 8-fluoranthen-3-yl-1-methyldibenzofuran.
What is the SMILES notation for 8-fluoranthen-3-yl-1-methyldibenzofuran?
The canonical SMILES for 8-fluoranthen-3-yl-1-methyldibenzofuran is Cc1cccc2oc3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c12.
What is the InChIKey of 8-fluoranthen-3-yl-1-methyldibenzofuran?
The InChIKey is QUNCIBJNGOISHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18O/c1-17-6-4-11-27-28(17)25-16-18(12-15-26(25)30-27)19-13-14-24-21-8-3-2-7-20(21)23-10-5-9-22(19)29(23)24/h2-16H,1H3.
What are the key properties of 8-fluoranthen-3-yl-1-methyldibenzofuran?
8-fluoranthen-3-yl-1-methyldibenzofuran has a molecular weight of 382.46 g/mol, XLogP of 8.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoranthen-3-yl-1-methyldibenzofuran is sourced from PubChem (CID 145447322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).