2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

C55H57Br — CID 59512866

IUPAC2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Br)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C55H57Br/c1-7-9-11-15-29-55(30-16-12-10-8-2)47-18-14-13-17-41(47)46-27-22-39(34-52(46)55)38-21-25-43-42-24-19-36(31-48(42)53(3,4)49(43)33-38)37-20-26-44-45-28-23-40(56)35-51(45)54(5,6)50(44)32-37/h13-14,17-28,31-35H,7-12,15-16,29-30H2,1-6H3
InChIKeyTVKMRNYDJBPUOI-UHFFFAOYSA-N
MW797.96 g/mol
LogP16.60
Rot. Bonds12

About 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 59512866) has the molecular formula C55H57Br and a molecular weight of 797.96 g/mol. Its IUPAC name is 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
PubChem CID59512866
Molecular FormulaC55H57Br
Molecular Weight797.96 g/mol
Exact Mass796.36
IUPAC Name2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Br)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C55H57Br/c1-7-9-11-15-29-55(30-16-12-10-8-2)47-18-14-13-17-41(47)46-27-22-39(34-52(46)55)38-21-25-43-42-24-19-36(31-48(42)53(3,4)49(43)33-38)37-20-26-44-45-28-23-40(56)35-51(45)54(5,6)50(44)32-37/h13-14,17-28,31-35H,7-12,15-16,29-30H2,1-6H3
InChIKeyTVKMRNYDJBPUOI-UHFFFAOYSA-N
XLogP16.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.96
LogP ≤ 516.60
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-9,9-dihexylfluorene
CID 18674600
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
2-(4-bromo-3,5-dimethylphenyl)-7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 145436592
2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
3-bromo-9,9-dioctylfluorene
CID 139567905
2-[9,9-dimethyl-7-(4-methylnaphthalen-1-yl)fluoren-2-yl]-7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluorene
CID 169036311
5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
CID 122679738
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (CID 59512866) is 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Br)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The InChIKey is TVKMRNYDJBPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H57Br/c1-7-9-11-15-29-55(30-16-12-10-8-2)47-18-14-13-17-41(47)46-27-22-39(34-52(46)55)38-21-25-43-42-24-19-36(31-48(42)53(3,4)49(43)33-38)37-20-26-44-45-28-23-40(56)35-51(45)54(5,6)50(44)32-37/h13-14,17-28,31-35H,7-12,15-16,29-30H2,1-6H3.
What are the key properties of 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 797.96 g/mol, XLogP of 16.60, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 59512866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).