2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene

C33H32Br2O4 — CID 69264851

IUPAC2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
SMILESCCOC(C)Oc1ccc(C2(c3ccc(OC(C)OCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C33H32Br2O4/c1-5-36-21(3)38-27-13-7-23(8-14-27)33(24-9-15-28(16-10-24)39-22(4)37-6-2)31-19-25(34)11-17-29(31)30-18-12-26(35)20-32(30)33/h7-22H,5-6H2,1-4H3
InChIKeyCGWPZCWAIPKPLX-UHFFFAOYSA-N
MW652.42 g/mol
LogP9.10
Rot. Bonds10

About 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene

2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene (PubChem CID 69264851) has the molecular formula C33H32Br2O4 and a molecular weight of 652.42 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
PubChem CID69264851
Molecular FormulaC33H32Br2O4
Molecular Weight652.42 g/mol
Exact Mass650.07
IUPAC Name2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
SMILESCCOC(C)Oc1ccc(C2(c3ccc(OC(C)OCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C33H32Br2O4/c1-5-36-21(3)38-27-13-7-23(8-14-27)33(24-9-15-28(16-10-24)39-22(4)37-6-2)31-19-25(34)11-17-29(31)30-18-12-26(35)20-32(30)33/h7-22H,5-6H2,1-4H3
InChIKeyCGWPZCWAIPKPLX-UHFFFAOYSA-N
XLogP9.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.42
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene (CID 69264851) is 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene is CCOC(C)Oc1ccc(C2(c3ccc(OC(C)OCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene?
The InChIKey is CGWPZCWAIPKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Br2O4/c1-5-36-21(3)38-27-13-7-23(8-14-27)33(24-9-15-28(16-10-24)39-22(4)37-6-2)31-19-25(34)11-17-29(31)30-18-12-26(35)20-32(30)33/h7-22H,5-6H2,1-4H3.
What are the key properties of 2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene?
2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene has a molecular weight of 652.42 g/mol, XLogP of 9.10, 10 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[4-(1-ethoxyethoxy)phenyl]fluorene is sourced from PubChem (CID 69264851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).