1-(9,9-dimethylfluoren-2-yl)dibenzofuran

C27H20O — CID 135131462

IUPAC1-(9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C27H20O/c1-27(2)22-11-5-3-8-19(22)20-15-14-17(16-23(20)27)18-10-7-13-25-26(18)21-9-4-6-12-24(21)28-25/h3-16H,1-2H3
InChIKeyJZJFGZGAFLMKMQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.56
Rot. Bonds1

About 1-(9,9-dimethylfluoren-2-yl)dibenzofuran

1-(9,9-dimethylfluoren-2-yl)dibenzofuran (PubChem CID 135131462) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)dibenzofuran
PubChem CID135131462
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name1-(9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C27H20O/c1-27(2)22-11-5-3-8-19(22)20-15-14-17(16-23(20)27)18-10-7-13-25-26(18)21-9-4-6-12-24(21)28-25/h3-16H,1-2H3
InChIKeyJZJFGZGAFLMKMQ-UHFFFAOYSA-N
XLogP7.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347240
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
CID 170217743
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran
CID 158936600
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)dibenzofuran (CID 135131462) is 1-(9,9-dimethylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)dibenzofuran is CC1(C)c2ccccc2-c2ccc(-c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The InChIKey is JZJFGZGAFLMKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c1-27(2)22-11-5-3-8-19(22)20-15-14-17(16-23(20)27)18-10-7-13-25-26(18)21-9-4-6-12-24(21)28-25/h3-16H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)dibenzofuran?
1-(9,9-dimethylfluoren-2-yl)dibenzofuran has a molecular weight of 360.46 g/mol, XLogP of 7.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 135131462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).