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

C27H20O — CID 122548566

IUPAC2-(9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C27H20O/c1-27(2)23-9-5-3-7-19(23)20-13-11-18(16-24(20)27)17-12-14-26-22(15-17)21-8-4-6-10-25(21)28-26/h3-16H,1-2H3
InChIKeyLWHKPBOKMJQAMC-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.56
Rot. Bonds1

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

2-(9,9-dimethylfluoren-2-yl)dibenzofuran (PubChem CID 122548566) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)dibenzofuran
PubChem CID122548566
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name2-(9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C27H20O/c1-27(2)23-9-5-3-7-19(23)20-13-11-18(16-24(20)27)17-12-14-26-22(15-17)21-8-4-6-10-25(21)28-26/h3-16H,1-2H3
InChIKeyLWHKPBOKMJQAMC-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

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]fluoren-2-amine
CID 67964272
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)dibenzofuran (CID 122548566) is 2-(9,9-dimethylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)dibenzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The InChIKey is LWHKPBOKMJQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c1-27(2)23-9-5-3-7-19(23)20-13-11-18(16-24(20)27)17-12-14-26-22(15-17)21-8-4-6-10-25(21)28-26/h3-16H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
2-(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 2-(9,9-dimethylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 122548566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).