2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol

C26H26Br2O — CID 134368344

IUPAC2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
SMILESCCCCCCc1cc(C)cc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C26H26Br2O/c1-3-4-5-6-7-18-12-17(2)13-19(14-18)26(29)24-15-20(27)8-10-22(24)23-11-9-21(28)16-25(23)26/h8-16,29H,3-7H2,1-2H3
InChIKeyIWGPDEDFBHRFNA-UHFFFAOYSA-N
MW514.30 g/mol
LogP7.91
Rot. Bonds6

About 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol

2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol (PubChem CID 134368344) has the molecular formula C26H26Br2O and a molecular weight of 514.30 g/mol. Its IUPAC name is 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
PubChem CID134368344
Molecular FormulaC26H26Br2O
Molecular Weight514.30 g/mol
Exact Mass512.04
IUPAC Name2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
SMILESCCCCCCc1cc(C)cc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C26H26Br2O/c1-3-4-5-6-7-18-12-17(2)13-19(14-18)26(29)24-15-20(27)8-10-22(24)23-11-9-21(28)16-25(23)26/h8-16,29H,3-7H2,1-2H3
InChIKeyIWGPDEDFBHRFNA-UHFFFAOYSA-N
XLogP7.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.30
LogP ≤ 57.91
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-(4-hexylphenyl)fluoren-9-ol
CID 58556168
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040
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
2,7-dibromo-9,10-dioctylphenanthrene-9,10-diol
CID 59479587
1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol
CID 174692034
1-bromo-3,5-dihexylbenzene;2,7-dibromo-3,6-diethylfluoren-9-one;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6-diethylfluoren-9-ol
CID 158018153
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
2-[9-(3-hexyl-5-methylphenyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123351004
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
9,9-bis(3,5-dihexylphenyl)-2,7-bis(2,4,6-trimethylphenyl)fluorene
CID 140680477
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol?
The IUPAC name of 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol (CID 134368344) is 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol.
What is the SMILES notation for 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol?
The canonical SMILES for 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol is CCCCCCc1cc(C)cc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol?
The InChIKey is IWGPDEDFBHRFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Br2O/c1-3-4-5-6-7-18-12-17(2)13-19(14-18)26(29)24-15-20(27)8-10-22(24)23-11-9-21(28)16-25(23)26/h8-16,29H,3-7H2,1-2H3.
What are the key properties of 2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol?
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol has a molecular weight of 514.30 g/mol, XLogP of 7.91, 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-(3-hexyl-5-methylphenyl)fluoren-9-ol is sourced from PubChem (CID 134368344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).