2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

C38H40Br2 — CID 90202241

IUPAC2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C38H40Br2/c1-5-17-37(18-6-2)33-21-25(9-13-29(33)31-15-11-27(39)23-35(31)37)26-10-14-30-32-16-12-28(40)24-36(32)38(19-7-3,20-8-4)34(30)22-26/h9-16,21-24H,5-8,17-20H2,1-4H3
InChIKeyQERDYIJNPXDMNL-UHFFFAOYSA-N
MW656.55 g/mol
LogP12.61
Rot. Bonds9

About 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (PubChem CID 90202241) has the molecular formula C38H40Br2 and a molecular weight of 656.55 g/mol. Its IUPAC name is 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
PubChem CID90202241
Molecular FormulaC38H40Br2
Molecular Weight656.55 g/mol
Exact Mass654.15
IUPAC Name2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C38H40Br2/c1-5-17-37(18-6-2)33-21-25(9-13-29(33)31-15-11-27(39)23-35(31)37)26-10-14-30-32-16-12-28(40)24-36(32)38(19-7-3,20-8-4)34(30)22-26/h9-16,21-24H,5-8,17-20H2,1-4H3
InChIKeyQERDYIJNPXDMNL-UHFFFAOYSA-N
XLogP12.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.55
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-bromo-7-isocyano-9,9-dipropylfluorene
CID 140702286
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium
CID 102213111
2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
CID 100964700
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
4-(7-bromo-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 169223631
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
2-phenyl-9,9-dipropylfluorene
CID 154114384
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The IUPAC name of 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (CID 90202241) is 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.
What is the SMILES notation for 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The canonical SMILES for 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is CCCC1(CCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(Br)ccc3-4)cc21.
What is the InChIKey of 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The InChIKey is QERDYIJNPXDMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40Br2/c1-5-17-37(18-6-2)33-21-25(9-13-29(33)31-15-11-27(39)23-35(31)37)26-10-14-30-32-16-12-28(40)24-36(32)38(19-7-3,20-8-4)34(30)22-26/h9-16,21-24H,5-8,17-20H2,1-4H3.
What are the key properties of 2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene has a molecular weight of 656.55 g/mol, XLogP of 12.61, 9 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-dipropylfluoren-2-yl)-9,9-dipropylfluorene is sourced from PubChem (CID 90202241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).