2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene

C27H36Br2O6 — CID 102112341

IUPAC2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
SMILESCOCCOCCOC(C)C1(C(C)OCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H36Br2O6/c1-19(34-15-13-32-11-9-30-3)27(20(2)35-16-14-33-12-10-31-4)25-17-21(28)5-7-23(25)24-8-6-22(29)18-26(24)27/h5-8,17-20H,9-16H2,1-4H3
InChIKeyGHUDQJDZTFVZHY-UHFFFAOYSA-N
MW616.39 g/mol
LogP5.61
Rot. Bonds16

About 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene

2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene (PubChem CID 102112341) has the molecular formula C27H36Br2O6 and a molecular weight of 616.39 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
PubChem CID102112341
Molecular FormulaC27H36Br2O6
Molecular Weight616.39 g/mol
Exact Mass614.09
IUPAC Name2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
SMILESCOCCOCCOC(C)C1(C(C)OCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H36Br2O6/c1-19(34-15-13-32-11-9-30-3)27(20(2)35-16-14-33-12-10-31-4)25-17-21(28)5-7-23(25)24-8-6-22(29)18-26(24)27/h5-8,17-20H,9-16H2,1-4H3
InChIKeyGHUDQJDZTFVZHY-UHFFFAOYSA-N
XLogP5.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
2-[2,7-dibromo-9-(2-methoxyethyl)fluoren-9-yl]ethanol
CID 90399566
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene
CID 67476758
2,7-dibromo-9,9-bis(2-methylpropyl)fluorene
CID 22340866
9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-2-[(E)-2-[4-[(E)-2-[9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-9-[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-bromofluoren-2-yl]ethenyl]phenyl]ethenyl]-9-[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene
CID 140699156
2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365
(7Z,9Z)-3-bromo-5,5-bis[2-(2-methoxyethoxy)ethyl]-6-methylidene-11H-benzo[9]annulene
CID 118601142
2,7-dibromo-9-propan-2-ylfluoren-9-ol
CID 90251222
2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
CID 69264851

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene (CID 102112341) is 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene is COCCOCCOC(C)C1(C(C)OCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
The InChIKey is GHUDQJDZTFVZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36Br2O6/c1-19(34-15-13-32-11-9-30-3)27(20(2)35-16-14-33-12-10-31-4)25-17-21(28)5-7-23(25)24-8-6-22(29)18-26(24)27/h5-8,17-20H,9-16H2,1-4H3.
What are the key properties of 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene has a molecular weight of 616.39 g/mol, XLogP of 5.61, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene is sourced from PubChem (CID 102112341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).