2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol

C25H24Br2O — CID 58556168

IUPAC2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
SMILESCCCCCCc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H24Br2O/c1-2-3-4-5-6-17-7-9-18(10-8-17)25(28)23-15-19(26)11-13-21(23)22-14-12-20(27)16-24(22)25/h7-16,28H,2-6H2,1H3
InChIKeyJCDRLXPZGYGVBS-UHFFFAOYSA-N
MW500.27 g/mol
LogP7.60
Rot. Bonds6

About 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol

2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol (PubChem CID 58556168) has the molecular formula C25H24Br2O and a molecular weight of 500.27 g/mol. Its IUPAC name is 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
PubChem CID58556168
Molecular FormulaC25H24Br2O
Molecular Weight500.27 g/mol
Exact Mass498.02
IUPAC Name2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
SMILESCCCCCCc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H24Br2O/c1-2-3-4-5-6-17-7-9-18(10-8-17)25(28)23-15-19(26)11-13-21(23)22-14-12-20(27)16-24(22)25/h7-16,28H,2-6H2,1H3
InChIKeyJCDRLXPZGYGVBS-UHFFFAOYSA-N
XLogP7.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.27
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 158706072
2-bromo-7-hexyl-9,9-dimethylfluorene
CID 130398311
3,6-dibromo-10,10-bis(4-hexylphenyl)-9H-anthracene
CID 151322001
2,7-dibromo-9,10-dioctylphenanthrene-9,10-diol
CID 59479587
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol
CID 15828167
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol?
The IUPAC name of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol (CID 58556168) is 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol.
What is the SMILES notation for 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol?
The canonical SMILES for 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol is CCCCCCc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol?
The InChIKey is JCDRLXPZGYGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Br2O/c1-2-3-4-5-6-17-7-9-18(10-8-17)25(28)23-15-19(26)11-13-21(23)22-14-12-20(27)16-24(22)25/h7-16,28H,2-6H2,1H3.
What are the key properties of 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol?
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol has a molecular weight of 500.27 g/mol, XLogP of 7.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol is sourced from PubChem (CID 58556168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).