3,4-dibromo-1,2-dihexyl-9H-fluorene

C25H32Br2 — CID 23031046

IUPAC3,4-dibromo-1,2-dihexyl-9H-fluorene
SMILESCCCCCCc1c(Br)c(Br)c2c(c1CCCCCC)Cc1ccccc1-2
InChIInChI=1S/C25H32Br2/c1-3-5-7-9-15-20-21(16-10-8-6-4-2)24(26)25(27)23-19-14-12-11-13-18(19)17-22(20)23/h11-14H,3-10,15-17H2,1-2H3
InChIKeyVMKCRZFQUYGRFX-UHFFFAOYSA-N
MW492.34 g/mol
LogP9.03
Rot. Bonds10

About 3,4-dibromo-1,2-dihexyl-9H-fluorene

3,4-dibromo-1,2-dihexyl-9H-fluorene (PubChem CID 23031046) has the molecular formula C25H32Br2 and a molecular weight of 492.34 g/mol. Its IUPAC name is 3,4-dibromo-1,2-dihexyl-9H-fluorene.

Molecular Properties

Compound Name3,4-dibromo-1,2-dihexyl-9H-fluorene
PubChem CID23031046
Molecular FormulaC25H32Br2
Molecular Weight492.34 g/mol
Exact Mass490.09
IUPAC Name3,4-dibromo-1,2-dihexyl-9H-fluorene
SMILESCCCCCCc1c(Br)c(Br)c2c(c1CCCCCC)Cc1ccccc1-2
InChIInChI=1S/C25H32Br2/c1-3-5-7-9-15-20-21(16-10-8-6-4-2)24(26)25(27)23-19-14-12-11-13-18(19)17-22(20)23/h11-14H,3-10,15-17H2,1-2H3
InChIKeyVMKCRZFQUYGRFX-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dioctyl-9H-fluorene
CID 173498709
1,2-dihexyl-9H-fluorene
CID 22141601
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586
1-butyl-2-decyl-9H-fluorene
CID 151429799
1-hexyl-9H-fluoren-2-amine
CID 57359668
9H-fluorene;henicosane
CID 174789372
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1,2,3-tributyl-9H-fluorene
CID 90984374
9H-fluorene;nonylbenzene
CID 161236553

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1,2-dihexyl-9H-fluorene?
The IUPAC name of 3,4-dibromo-1,2-dihexyl-9H-fluorene (CID 23031046) is 3,4-dibromo-1,2-dihexyl-9H-fluorene.
What is the SMILES notation for 3,4-dibromo-1,2-dihexyl-9H-fluorene?
The canonical SMILES for 3,4-dibromo-1,2-dihexyl-9H-fluorene is CCCCCCc1c(Br)c(Br)c2c(c1CCCCCC)Cc1ccccc1-2.
What is the InChIKey of 3,4-dibromo-1,2-dihexyl-9H-fluorene?
The InChIKey is VMKCRZFQUYGRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2/c1-3-5-7-9-15-20-21(16-10-8-6-4-2)24(26)25(27)23-19-14-12-11-13-18(19)17-22(20)23/h11-14H,3-10,15-17H2,1-2H3.
What are the key properties of 3,4-dibromo-1,2-dihexyl-9H-fluorene?
3,4-dibromo-1,2-dihexyl-9H-fluorene has a molecular weight of 492.34 g/mol, XLogP of 9.03, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1,2-dihexyl-9H-fluorene is sourced from PubChem (CID 23031046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).