1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene

C28H19Br — CID 175730921

IUPAC1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene
SMILESBrc1cccc(C2C=Cc3ccccc32)c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H19Br/c29-27-14-6-13-24(23-16-15-18-7-1-3-9-20(18)23)28(27)25-12-5-11-22-21-10-4-2-8-19(21)17-26(22)25/h1-16,23H,17H2
InChIKeyHHULLIOWNBJEDU-UHFFFAOYSA-N
MW435.36 g/mol
LogP7.85
Rot. Bonds2

About 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene

1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene (PubChem CID 175730921) has the molecular formula C28H19Br and a molecular weight of 435.36 g/mol. Its IUPAC name is 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene
PubChem CID175730921
Molecular FormulaC28H19Br
Molecular Weight435.36 g/mol
Exact Mass434.07
IUPAC Name1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene
SMILESBrc1cccc(C2C=Cc3ccccc32)c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H19Br/c29-27-14-6-13-24(23-16-15-18-7-1-3-9-20(18)23)28(27)25-12-5-11-22-21-10-4-2-8-19(21)17-26(22)25/h1-16,23H,17H2
InChIKeyHHULLIOWNBJEDU-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
1-bromo-2-iodo-9H-fluorene
CID 69464063
(1S)-1-phenyl-1H-indene
CID 86309914
4-(2-bromo-9H-fluoren-1-yl)aniline
CID 175575602
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene?
The IUPAC name of 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene (CID 175730921) is 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene.
What is the SMILES notation for 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene?
The canonical SMILES for 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene is Brc1cccc(C2C=Cc3ccccc32)c1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene?
The InChIKey is HHULLIOWNBJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Br/c29-27-14-6-13-24(23-16-15-18-7-1-3-9-20(18)23)28(27)25-12-5-11-22-21-10-4-2-8-19(21)17-26(22)25/h1-16,23H,17H2.
What are the key properties of 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene?
1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene has a molecular weight of 435.36 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene is sourced from PubChem (CID 175730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).