2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene

C41H48Br2 — CID 86093242

IUPAC2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(Br)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)cc21
InChIInChI=1S/C41H48Br2/c1-5-9-11-29(7-3)27-41(28-30(8-4)12-10-6-2)39-25-33(31-13-19-35(42)20-14-31)17-23-37(39)38-24-18-34(26-40(38)41)32-15-21-36(43)22-16-32/h13-26,29-30H,5-12,27-28H2,1-4H3
InChIKeyODARIOHKNFEZMC-UHFFFAOYSA-N
MW700.64 g/mol
LogP14.03
Rot. Bonds14

About 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene

2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene (PubChem CID 86093242) has the molecular formula C41H48Br2 and a molecular weight of 700.64 g/mol. Its IUPAC name is 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene.

Molecular Properties

Compound Name2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
PubChem CID86093242
Molecular FormulaC41H48Br2
Molecular Weight700.64 g/mol
Exact Mass698.21
IUPAC Name2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(Br)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)cc21
InChIInChI=1S/C41H48Br2/c1-5-9-11-29(7-3)27-41(28-30(8-4)12-10-6-2)39-25-33(31-13-19-35(42)20-14-31)17-23-37(39)38-24-18-34(26-40(38)41)32-15-21-36(43)22-16-32/h13-26,29-30H,5-12,27-28H2,1-4H3
InChIKeyODARIOHKNFEZMC-UHFFFAOYSA-N
XLogP14.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.64
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
CID 101417664
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218
7-bromo-9,9-bis(2-ethyl-5-iodopentyl)fluorene-2-thiol
CID 134388505
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479733
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479734
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
4-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 90352299
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

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene?
The IUPAC name of 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene (CID 86093242) is 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene.
What is the SMILES notation for 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene?
The canonical SMILES for 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(Br)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)cc21.
What is the InChIKey of 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene?
The InChIKey is ODARIOHKNFEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48Br2/c1-5-9-11-29(7-3)27-41(28-30(8-4)12-10-6-2)39-25-33(31-13-19-35(42)20-14-31)17-23-37(39)38-24-18-34(26-40(38)41)32-15-21-36(43)22-16-32/h13-26,29-30H,5-12,27-28H2,1-4H3.
What are the key properties of 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene?
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene has a molecular weight of 700.64 g/mol, XLogP of 14.03, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene is sourced from PubChem (CID 86093242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).