6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol

C25H32Br2O2 — CID 86231316

IUPAC6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
SMILESOCCCCCCC1(CCCCCCO)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H32Br2O2/c26-19-9-11-21-22-12-10-20(27)18-24(22)25(23(21)17-19,13-5-1-3-7-15-28)14-6-2-4-8-16-29/h9-12,17-18,28-29H,1-8,13-16H2
InChIKeyVYPKIFLMGREFQP-UHFFFAOYSA-N
MW524.34 g/mol
LogP7.36
Rot. Bonds12

About 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol

6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol (PubChem CID 86231316) has the molecular formula C25H32Br2O2 and a molecular weight of 524.34 g/mol. Its IUPAC name is 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
PubChem CID86231316
Molecular FormulaC25H32Br2O2
Molecular Weight524.34 g/mol
Exact Mass522.08
IUPAC Name6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
SMILESOCCCCCCC1(CCCCCCO)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H32Br2O2/c26-19-9-11-21-22-12-10-20(27)18-24(22)25(23(21)17-19,13-5-1-3-7-15-28)14-6-2-4-8-16-29/h9-12,17-18,28-29H,1-8,13-16H2
InChIKeyVYPKIFLMGREFQP-UHFFFAOYSA-N
XLogP7.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.34
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
6-[2,7-dibromo-9-(6-phosphonohexyl)fluoren-9-yl]hexylphosphonic acid
CID 141174107
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
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexylfluorene
CID 18674600
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane
CID 171578928

Frequently Asked Questions

What is the IUPAC name of 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol?
The IUPAC name of 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol (CID 86231316) is 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol.
What is the SMILES notation for 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol?
The canonical SMILES for 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol is OCCCCCCC1(CCCCCCO)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol?
The InChIKey is VYPKIFLMGREFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2O2/c26-19-9-11-21-22-12-10-20(27)18-24(22)25(23(21)17-19,13-5-1-3-7-15-28)14-6-2-4-8-16-29/h9-12,17-18,28-29H,1-8,13-16H2.
What are the key properties of 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol?
6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol has a molecular weight of 524.34 g/mol, XLogP of 7.36, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol is sourced from PubChem (CID 86231316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).