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

C100H128Br2 — CID 101349913

IUPAC2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(Br)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C100H128Br2/c1-9-17-25-33-57-97(58-34-26-18-10-2)89-65-73(41-49-81(89)83-51-43-75(67-91(83)97)77-45-53-85-87-55-47-79(101)71-95(87)99(93(85)69-77,61-37-29-21-13-5)62-38-30-22-14-6)74-42-50-82-84-52-44-76(68-92(84)98(90(82)66-74,59-35-27-19-11-3)60-36-28-20-12-4)78-46-54-86-88-56-48-80(102)72-96(88)100(94(86)70-78,63-39-31-23-15-7)64-40-32-24-16-8/h41-56,65-72H,9-40,57-64H2,1-8H3
InChIKeyKCEALVOHPZPRSQ-UHFFFAOYSA-N
MW1489.93 g/mol
LogP33.04
Rot. Bonds43

About 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

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 (PubChem CID 101349913) has the molecular formula C100H128Br2 and a molecular weight of 1489.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
PubChem CID101349913
Molecular FormulaC100H128Br2
Molecular Weight1489.93 g/mol
Exact Mass1486.84
IUPAC Name2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(Br)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C100H128Br2/c1-9-17-25-33-57-97(58-34-26-18-10-2)89-65-73(41-49-81(89)83-51-43-75(67-91(83)97)77-45-53-85-87-55-47-79(101)71-95(87)99(93(85)69-77,61-37-29-21-13-5)62-38-30-22-14-6)74-42-50-82-84-52-44-76(68-92(84)98(90(82)66-74,59-35-27-19-11-3)60-36-28-20-12-4)78-46-54-86-88-56-48-80(102)72-96(88)100(94(86)70-78,63-39-31-23-15-7)64-40-32-24-16-8/h41-56,65-72H,9-40,57-64H2,1-8H3
InChIKeyKCEALVOHPZPRSQ-UHFFFAOYSA-N
XLogP33.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds43
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.93
LogP ≤ 533.04
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-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene with MolForge

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Related Compounds

2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
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-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(Br)ccc7-8)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is KCEALVOHPZPRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H128Br2/c1-9-17-25-33-57-97(58-34-26-18-10-2)89-65-73(41-49-81(89)83-51-43-75(67-91(83)97)77-45-53-85-87-55-47-79(101)71-95(87)99(93(85)69-77,61-37-29-21-13-5)62-38-30-22-14-6)74-42-50-82-84-52-44-76(68-92(84)98(90(82)66-74,59-35-27-19-11-3)60-36-28-20-12-4)78-46-54-86-88-56-48-80(102)72-96(88)100(94(86)70-78,63-39-31-23-15-7)64-40-32-24-16-8/h41-56,65-72H,9-40,57-64H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1489.93 g/mol, XLogP of 33.04, 43 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101349913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).