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

C27H19BrO — CID 118614795

IUPAC6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(Br)cccc5c4c3)cc21
InChIInChI=1S/C27H19BrO/c1-27(2)22-8-4-3-6-18(22)19-12-10-17(15-23(19)27)16-11-13-25-21(14-16)20-7-5-9-24(28)26(20)29-25/h3-15H,1-2H3
InChIKeyDKSKBJMQJLOAPO-UHFFFAOYSA-N
MW439.35 g/mol
LogP8.32
Rot. Bonds1

About 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran

6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran (PubChem CID 118614795) has the molecular formula C27H19BrO and a molecular weight of 439.35 g/mol. Its IUPAC name is 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
PubChem CID118614795
Molecular FormulaC27H19BrO
Molecular Weight439.35 g/mol
Exact Mass438.06
IUPAC Name6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(Br)cccc5c4c3)cc21
InChIInChI=1S/C27H19BrO/c1-27(2)22-8-4-3-6-18(22)19-12-10-17(15-23(19)27)16-11-13-25-21(14-16)20-7-5-9-24(28)26(20)29-25/h3-15H,1-2H3
InChIKeyDKSKBJMQJLOAPO-UHFFFAOYSA-N
XLogP8.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
CID 166902274
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
CID 160748906
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
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
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
CID 169022480

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The IUPAC name of 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran (CID 118614795) is 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(Br)cccc5c4c3)cc21.
What is the InChIKey of 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
The InChIKey is DKSKBJMQJLOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrO/c1-27(2)22-8-4-3-6-18(22)19-12-10-17(15-23(19)27)16-11-13-25-21(14-16)20-7-5-9-24(28)26(20)29-25/h3-15H,1-2H3.
What are the key properties of 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran?
6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran has a molecular weight of 439.35 g/mol, XLogP of 8.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 118614795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).