4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran

C50H30F2O — CID 158623071

IUPAC4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran
SMILESFc1ccc(-c2ccc3c(c2-c2cccc4c2oc2c(-c5c(-c6ccc(F)cc6)ccc6c5Cc5ccccc5-6)cccc24)Cc2ccccc2-3)cc1
InChIInChI=1S/C50H30F2O/c51-33-19-15-29(16-20-33)37-23-25-39-35-9-3-1-7-31(35)27-45(39)47(37)43-13-5-11-41-42-12-6-14-44(50(42)53-49(41)43)48-38(30-17-21-34(52)22-18-30)24-26-40-36-10-4-2-8-32(36)28-46(40)48/h1-26H,27-28H2
InChIKeyHYFZICXBQNKYKM-UHFFFAOYSA-N
MW684.79 g/mol
LogP13.67
Rot. Bonds4

About 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran

4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran (PubChem CID 158623071) has the molecular formula C50H30F2O and a molecular weight of 684.79 g/mol. Its IUPAC name is 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran.

Molecular Properties

Compound Name4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran
PubChem CID158623071
Molecular FormulaC50H30F2O
Molecular Weight684.79 g/mol
Exact Mass684.23
IUPAC Name4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran
SMILESFc1ccc(-c2ccc3c(c2-c2cccc4c2oc2c(-c5c(-c6ccc(F)cc6)ccc6c5Cc5ccccc5-6)cccc24)Cc2ccccc2-3)cc1
InChIInChI=1S/C50H30F2O/c51-33-19-15-29(16-20-33)37-23-25-39-35-9-3-1-7-31(35)27-45(39)47(37)43-13-5-11-41-42-12-6-14-44(50(42)53-49(41)43)48-38(30-17-21-34(52)22-18-30)24-26-40-36-10-4-2-8-32(36)28-46(40)48/h1-26H,27-28H2
InChIKeyHYFZICXBQNKYKM-UHFFFAOYSA-N
XLogP13.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.79
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran
CID 172853512
10-phenyl-12H-fluoreno[1,2-b][1]benzofuran
CID 164962558
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 118545354
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 155609485
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
1-(1-dibenzofuran-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166134395
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran?
The IUPAC name of 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran (CID 158623071) is 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran.
What is the SMILES notation for 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran?
The canonical SMILES for 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran is Fc1ccc(-c2ccc3c(c2-c2cccc4c2oc2c(-c5c(-c6ccc(F)cc6)ccc6c5Cc5ccccc5-6)cccc24)Cc2ccccc2-3)cc1.
What is the InChIKey of 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran?
The InChIKey is HYFZICXBQNKYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F2O/c51-33-19-15-29(16-20-33)37-23-25-39-35-9-3-1-7-31(35)27-45(39)47(37)43-13-5-11-41-42-12-6-14-44(50(42)53-49(41)43)48-38(30-17-21-34(52)22-18-30)24-26-40-36-10-4-2-8-32(36)28-46(40)48/h1-26H,27-28H2.
What are the key properties of 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran?
4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran has a molecular weight of 684.79 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran is sourced from PubChem (CID 158623071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).