2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene

C18H12Br2 — CID 23373259

IUPAC2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene
SMILESBrc1ccc2c(c1)C(C1=CCC=C1)c1cc(Br)ccc1-2
InChIInChI=1S/C18H12Br2/c19-12-5-7-14-15-8-6-13(20)10-17(15)18(16(14)9-12)11-3-1-2-4-11/h1,3-10,18H,2H2
InChIKeySWGDWXATLARXPH-UHFFFAOYSA-N
MW388.10 g/mol
LogP6.21
Rot. Bonds1

About 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene

2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene (PubChem CID 23373259) has the molecular formula C18H12Br2 and a molecular weight of 388.10 g/mol. Its IUPAC name is 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene
PubChem CID23373259
Molecular FormulaC18H12Br2
Molecular Weight388.10 g/mol
Exact Mass385.93
IUPAC Name2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene
SMILESBrc1ccc2c(c1)C(C1=CCC=C1)c1cc(Br)ccc1-2
InChIInChI=1S/C18H12Br2/c19-12-5-7-14-15-8-6-13(20)10-17(15)18(16(14)9-12)11-3-1-2-4-11/h1,3-10,18H,2H2
InChIKeySWGDWXATLARXPH-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.10
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene
CID 23213774
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
2-bromo-9H-fluoren-9-amine
CID 71174476
2,7-dibromo-9-(3-methylphenyl)-9H-fluorene
CID 157125078
3-bromo-7H-benzo[7]annulene
CID 123919953
(3S)-3,5-dibromo-2,3-dihydroinden-1-one
CID 86326332
2,7-dibromo-9-prop-2-enyl-9H-fluorene
CID 141405719
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 162495363
2-bromo-9-nitroso-9H-fluorene
CID 90968481
(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-(3-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
CID 67039516
2,7-dibromophenanthrene-9,10-dione
CID 159425513

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene (CID 23373259) is 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene is Brc1ccc2c(c1)C(C1=CCC=C1)c1cc(Br)ccc1-2.
What is the InChIKey of 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene?
The InChIKey is SWGDWXATLARXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2/c19-12-5-7-14-15-8-6-13(20)10-17(15)18(16(14)9-12)11-3-1-2-4-11/h1,3-10,18H,2H2.
What are the key properties of 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene?
2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene has a molecular weight of 388.10 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-cyclopenta-1,4-dien-1-yl-9H-fluorene is sourced from PubChem (CID 23373259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).