2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene

C44H60Br2O8 — CID 67476758

IUPAC2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene
SMILESCCOCCOCCC1(CCOCCOCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCOCCOCC)CCOCCOCC
InChIInChI=1S/C44H60Br2O8/c1-5-47-21-25-51-17-13-43(14-18-52-26-22-48-6-2)39-29-33(45)9-11-35(39)37-32-42-38(31-41(37)43)36-12-10-34(46)30-40(36)44(42,15-19-53-27-23-49-7-3)16-20-54-28-24-50-8-4/h9-12,29-32H,5-8,13-28H2,1-4H3
InChIKeyUWCFARNHSHYNJH-UHFFFAOYSA-N
MW876.76 g/mol
LogP9.52
Rot. Bonds28

About 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene

2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene (PubChem CID 67476758) has the molecular formula C44H60Br2O8 and a molecular weight of 876.76 g/mol. Its IUPAC name is 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene.

Molecular Properties

Compound Name2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene
PubChem CID67476758
Molecular FormulaC44H60Br2O8
Molecular Weight876.76 g/mol
Exact Mass874.27
IUPAC Name2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene
SMILESCCOCCOCCC1(CCOCCOCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCOCCOCC)CCOCCOCC
InChIInChI=1S/C44H60Br2O8/c1-5-47-21-25-51-17-13-43(14-18-52-26-22-48-6-2)39-29-33(45)9-11-35(39)37-32-42-38(31-41(37)43)36-12-10-34(46)30-40(36)44(42,15-19-53-27-23-49-7-3)16-20-54-28-24-50-8-4/h9-12,29-32H,5-8,13-28H2,1-4H3
InChIKeyUWCFARNHSHYNJH-UHFFFAOYSA-N
XLogP9.52
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.76
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene?
The IUPAC name of 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene (CID 67476758) is 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene.
What is the SMILES notation for 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene?
The canonical SMILES for 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene is CCOCCOCCC1(CCOCCOCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCOCCOCC)CCOCCOCC.
What is the InChIKey of 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene?
The InChIKey is UWCFARNHSHYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60Br2O8/c1-5-47-21-25-51-17-13-43(14-18-52-26-22-48-6-2)39-29-33(45)9-11-35(39)37-32-42-38(31-41(37)43)36-12-10-34(46)30-40(36)44(42,15-19-53-27-23-49-7-3)16-20-54-28-24-50-8-4/h9-12,29-32H,5-8,13-28H2,1-4H3.
What are the key properties of 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene?
2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene has a molecular weight of 876.76 g/mol, XLogP of 9.52, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene is sourced from PubChem (CID 67476758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).