2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene

C33H32Br2O4 — CID 58905890

IUPAC2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
SMILESBrc1ccc2c(c1)C(CCOCCOc1ccccc1)(CCOCCOc1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C33H32Br2O4/c34-25-11-13-29-30-14-12-26(35)24-32(30)33(31(29)23-25,15-17-36-19-21-38-27-7-3-1-4-8-27)16-18-37-20-22-39-28-9-5-2-6-10-28/h1-14,23-24H,15-22H2
InChIKeyBOKMFKZPSIUFKO-UHFFFAOYSA-N
MW652.42 g/mol
LogP8.45
Rot. Bonds14

About 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene

2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene (PubChem CID 58905890) has the molecular formula C33H32Br2O4 and a molecular weight of 652.42 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
PubChem CID58905890
Molecular FormulaC33H32Br2O4
Molecular Weight652.42 g/mol
Exact Mass650.07
IUPAC Name2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
SMILESBrc1ccc2c(c1)C(CCOCCOc1ccccc1)(CCOCCOc1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C33H32Br2O4/c34-25-11-13-29-30-14-12-26(35)24-32(30)33(31(29)23-25,15-17-36-19-21-38-27-7-3-1-4-8-27)16-18-37-20-22-39-28-9-5-2-6-10-28/h1-14,23-24H,15-22H2
InChIKeyBOKMFKZPSIUFKO-UHFFFAOYSA-N
XLogP8.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.42
LogP ≤ 58.45
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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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene (CID 58905890) is 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene is Brc1ccc2c(c1)C(CCOCCOc1ccccc1)(CCOCCOc1ccccc1)c1cc(Br)ccc1-2.
What is the InChIKey of 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
The InChIKey is BOKMFKZPSIUFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Br2O4/c34-25-11-13-29-30-14-12-26(35)24-32(30)33(31(29)23-25,15-17-36-19-21-38-27-7-3-1-4-8-27)16-18-37-20-22-39-28-9-5-2-6-10-28/h1-14,23-24H,15-22H2.
What are the key properties of 2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
2,7-dibromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene has a molecular weight of 652.42 g/mol, XLogP of 8.45, 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[2-(2-phenoxyethoxy)ethyl]fluorene is sourced from PubChem (CID 58905890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).