2,7-dibromo-9-heptyl-9-hexylfluorene

C26H34Br2 — CID 170123395

IUPAC2,7-dibromo-9-heptyl-9-hexylfluorene
SMILESCCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C26H34Br2/c1-3-5-7-9-11-17-26(16-10-8-6-4-2)24-18-20(27)12-14-22(24)23-15-13-21(28)19-25(23)26/h12-15,18-19H,3-11,16-17H2,1-2H3
InChIKeyWXFRTLDSLWQEHH-UHFFFAOYSA-N
MW506.37 g/mol
LogP9.81
Rot. Bonds11

About 2,7-dibromo-9-heptyl-9-hexylfluorene

2,7-dibromo-9-heptyl-9-hexylfluorene (PubChem CID 170123395) has the molecular formula C26H34Br2 and a molecular weight of 506.37 g/mol. Its IUPAC name is 2,7-dibromo-9-heptyl-9-hexylfluorene.

Molecular Properties

Compound Name2,7-dibromo-9-heptyl-9-hexylfluorene
PubChem CID170123395
Molecular FormulaC26H34Br2
Molecular Weight506.37 g/mol
Exact Mass504.10
IUPAC Name2,7-dibromo-9-heptyl-9-hexylfluorene
SMILESCCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C26H34Br2/c1-3-5-7-9-11-17-26(16-10-8-6-4-2)24-18-20(27)12-14-22(24)23-15-13-21(28)19-25(23)26/h12-15,18-19H,3-11,16-17H2,1-2H3
InChIKeyWXFRTLDSLWQEHH-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.37
LogP ≤ 59.81
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

2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexylfluorene
CID 18674600
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
CID 59561089
CID 59561089
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline
CID 150674535
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-heptyl-9-hexylfluorene?
The IUPAC name of 2,7-dibromo-9-heptyl-9-hexylfluorene (CID 170123395) is 2,7-dibromo-9-heptyl-9-hexylfluorene.
What is the SMILES notation for 2,7-dibromo-9-heptyl-9-hexylfluorene?
The canonical SMILES for 2,7-dibromo-9-heptyl-9-hexylfluorene is CCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-heptyl-9-hexylfluorene?
The InChIKey is WXFRTLDSLWQEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Br2/c1-3-5-7-9-11-17-26(16-10-8-6-4-2)24-18-20(27)12-14-22(24)23-15-13-21(28)19-25(23)26/h12-15,18-19H,3-11,16-17H2,1-2H3.
What are the key properties of 2,7-dibromo-9-heptyl-9-hexylfluorene?
2,7-dibromo-9-heptyl-9-hexylfluorene has a molecular weight of 506.37 g/mol, XLogP of 9.81, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-heptyl-9-hexylfluorene is sourced from PubChem (CID 170123395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).