2-(4-fluoranthen-3-ylphenyl)dibenzofuran

C34H20O — CID 121287650

IUPAC2-(4-fluoranthen-3-ylphenyl)dibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)ccc-2c13
InChIInChI=1S/C34H20O/c1-2-7-26-25(6-1)29-10-5-9-28-24(17-18-30(26)34(28)29)22-14-12-21(13-15-22)23-16-19-33-31(20-23)27-8-3-4-11-32(27)35-33/h1-20H
InChIKeyBMEWCYMQHOHPHU-UHFFFAOYSA-N
MW444.53 g/mol
LogP9.72
Rot. Bonds2

About 2-(4-fluoranthen-3-ylphenyl)dibenzofuran

2-(4-fluoranthen-3-ylphenyl)dibenzofuran (PubChem CID 121287650) has the molecular formula C34H20O and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-(4-fluoranthen-3-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name2-(4-fluoranthen-3-ylphenyl)dibenzofuran
PubChem CID121287650
Molecular FormulaC34H20O
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name2-(4-fluoranthen-3-ylphenyl)dibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)ccc-2c13
InChIInChI=1S/C34H20O/c1-2-7-26-25(6-1)29-10-5-9-28-24(17-18-30(26)34(28)29)22-14-12-21(13-15-22)23-16-19-33-31(20-23)27-8-3-4-11-32(27)35-33/h1-20H
InChIKeyBMEWCYMQHOHPHU-UHFFFAOYSA-N
XLogP9.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
2-[2-pyren-1-yl-5-(4-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303139
2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
CID 146396782
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
4-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyrimidine
CID 146396702
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
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
2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 159977483

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoranthen-3-ylphenyl)dibenzofuran?
The IUPAC name of 2-(4-fluoranthen-3-ylphenyl)dibenzofuran (CID 121287650) is 2-(4-fluoranthen-3-ylphenyl)dibenzofuran.
What is the SMILES notation for 2-(4-fluoranthen-3-ylphenyl)dibenzofuran?
The canonical SMILES for 2-(4-fluoranthen-3-ylphenyl)dibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)ccc-2c13.
What is the InChIKey of 2-(4-fluoranthen-3-ylphenyl)dibenzofuran?
The InChIKey is BMEWCYMQHOHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O/c1-2-7-26-25(6-1)29-10-5-9-28-24(17-18-30(26)34(28)29)22-14-12-21(13-15-22)23-16-19-33-31(20-23)27-8-3-4-11-32(27)35-33/h1-20H.
What are the key properties of 2-(4-fluoranthen-3-ylphenyl)dibenzofuran?
2-(4-fluoranthen-3-ylphenyl)dibenzofuran has a molecular weight of 444.53 g/mol, XLogP of 9.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoranthen-3-ylphenyl)dibenzofuran is sourced from PubChem (CID 121287650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).