2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene

C58H80Br2 — CID 58676153

IUPAC2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C58H80Br2/c1-5-9-13-17-21-25-37-57(38-26-22-18-14-10-6-2)53-41-45(29-33-49(53)51-35-31-47(59)43-55(51)57)46-30-34-50-52-36-32-48(60)44-56(52)58(54(50)42-46,39-27-23-19-15-11-7-3)40-28-24-20-16-12-8-4/h29-36,41-44H,5-28,37-40H2,1-4H3
InChIKeyBBWBNTSYTUSNGK-UHFFFAOYSA-N
MW937.09 g/mol
LogP20.41
Rot. Bonds29

About 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene

2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene (PubChem CID 58676153) has the molecular formula C58H80Br2 and a molecular weight of 937.09 g/mol. Its IUPAC name is 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene.

Molecular Properties

Compound Name2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
PubChem CID58676153
Molecular FormulaC58H80Br2
Molecular Weight937.09 g/mol
Exact Mass934.46
IUPAC Name2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C58H80Br2/c1-5-9-13-17-21-25-37-57(38-26-22-18-14-10-6-2)53-41-45(29-33-49(53)51-35-31-47(59)43-55(51)57)46-30-34-50-52-36-32-48(60)44-56(52)58(54(50)42-46,39-27-23-19-15-11-7-3)40-28-24-20-16-12-8-4/h29-36,41-44H,5-28,37-40H2,1-4H3
InChIKeyBBWBNTSYTUSNGK-UHFFFAOYSA-N
XLogP20.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.09
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene with MolForge

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Related Compounds

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
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
4-(7-bromo-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 169223631
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
2-bromo-9,9-dihexylfluorene
CID 18674600
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene
CID 155761650
2,7-dibromo-9,9-dioctylfluorene;9,9-dioctyl-2,7-diphenylfluorene;(9,9-dioctyl-7-trimethylstannylfluoren-2-yl)-trimethylstannane
CID 158576273
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene?
The IUPAC name of 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene (CID 58676153) is 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene.
What is the SMILES notation for 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene?
The canonical SMILES for 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.
What is the InChIKey of 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene?
The InChIKey is BBWBNTSYTUSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H80Br2/c1-5-9-13-17-21-25-37-57(38-26-22-18-14-10-6-2)53-41-45(29-33-49(53)51-35-31-47(59)43-55(51)57)46-30-34-50-52-36-32-48(60)44-56(52)58(54(50)42-46,39-27-23-19-15-11-7-3)40-28-24-20-16-12-8-4/h29-36,41-44H,5-28,37-40H2,1-4H3.
What are the key properties of 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene?
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene has a molecular weight of 937.09 g/mol, XLogP of 20.41, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene is sourced from PubChem (CID 58676153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).