2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene

C25H32Br2O4 — CID 58473533

IUPAC2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
SMILESCOCCOCCCC1(CCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H32Br2O4/c1-28-13-15-30-11-3-9-25(10-4-12-31-16-14-29-2)23-17-19(26)5-7-21(23)22-8-6-20(27)18-24(22)25/h5-8,17-18H,3-4,9-16H2,1-2H3
InChIKeyDWDPYDABHZTDKG-UHFFFAOYSA-N
MW556.34 g/mol
LogP6.36
Rot. Bonds14

About 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene

2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene (PubChem CID 58473533) has the molecular formula C25H32Br2O4 and a molecular weight of 556.34 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
PubChem CID58473533
Molecular FormulaC25H32Br2O4
Molecular Weight556.34 g/mol
Exact Mass554.07
IUPAC Name2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
SMILESCOCCOCCCC1(CCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H32Br2O4/c1-28-13-15-30-11-3-9-25(10-4-12-31-16-14-29-2)23-17-19(26)5-7-21(23)22-8-6-20(27)18-24(22)25/h5-8,17-18H,3-4,9-16H2,1-2H3
InChIKeyDWDPYDABHZTDKG-UHFFFAOYSA-N
XLogP6.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.34
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,7-dibromo-9-(2-methoxyethyl)fluoren-9-yl]ethanol
CID 90399566
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[1-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
CID 102112341
2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate
CID 58473593
3-[2,7-dibromo-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]propyl prop-2-enoate
CID 86606152
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
CID 58473634
2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
CID 158700493
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129
6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
CID 86231316

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene (CID 58473533) is 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene is COCCOCCCC1(CCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene?
The InChIKey is DWDPYDABHZTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2O4/c1-28-13-15-30-11-3-9-25(10-4-12-31-16-14-29-2)23-17-19(26)5-7-21(23)22-8-6-20(27)18-24(22)25/h5-8,17-18H,3-4,9-16H2,1-2H3.
What are the key properties of 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene?
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene has a molecular weight of 556.34 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene is sourced from PubChem (CID 58473533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).