4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran

C27H19BrO — CID 135295825

IUPAC4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)cc(Br)c21
InChIInChI=1S/C27H19BrO/c1-27(2)22-12-5-3-8-18(22)21-14-16(15-23(28)25(21)27)17-10-7-11-20-19-9-4-6-13-24(19)29-26(17)20/h3-15H,1-2H3
InChIKeyUSAWJVCTCNDJQS-UHFFFAOYSA-N
MW439.35 g/mol
LogP8.32
Rot. Bonds1

About 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran

4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran (PubChem CID 135295825) has the molecular formula C27H19BrO and a molecular weight of 439.35 g/mol. Its IUPAC name is 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran.

Molecular Properties

Compound Name4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran
PubChem CID135295825
Molecular FormulaC27H19BrO
Molecular Weight439.35 g/mol
Exact Mass438.06
IUPAC Name4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)cc(Br)c21
InChIInChI=1S/C27H19BrO/c1-27(2)22-12-5-3-8-18(22)21-14-16(15-23(28)25(21)27)17-10-7-11-20-19-9-4-6-13-24(19)29-26(17)20/h3-15H,1-2H3
InChIKeyUSAWJVCTCNDJQS-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

4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
17-(9,9-dimethylfluoren-4-yl)-1-methyl-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
CID 163533691
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 163691406
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 118614795
4-[3-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]dibenzofuran
CID 121444171
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839577
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran?
The IUPAC name of 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran (CID 135295825) is 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran.
What is the SMILES notation for 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran?
The canonical SMILES for 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran is CC1(C)c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)cc(Br)c21.
What is the InChIKey of 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran?
The InChIKey is USAWJVCTCNDJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrO/c1-27(2)22-12-5-3-8-18(22)21-14-16(15-23(28)25(21)27)17-10-7-11-20-19-9-4-6-13-24(19)29-26(17)20/h3-15H,1-2H3.
What are the key properties of 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran?
4-(1-bromo-9,9-dimethylfluoren-3-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 4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran is sourced from PubChem (CID 135295825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).