2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol

C28H32N2O6 — CID 176547811

About 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 176547811) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 176547811
• Molecular Formula: C28H32N2O6
• Molecular Weight: 492.57 g/mol
• Exact Mass: 492.23
• IUPAC Name: 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOCCOCCOC1=C=CC=C(c2ccc3c(c2)[nH]c2ccncc23)C=C1
• InChI: InChI=1S/C28H32N2O6/c31-10-11-32-12-13-33-14-15-34-16-17-35-18-19-36-24-3-1-2-22(4-6-24)23-5-7-25-26-21-29-9-8-27(26)30-28(25)20-23/h1-2,4-9,20-21,30-31H,10-19H2
• InChIKey: SQIVBXBMXRCRJR-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.57
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 176547811) is 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCOC1=C=CC=C(c2ccc3c(c2)[nH]c2ccncc23)C=C1.

What is the InChIKey of 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is SQIVBXBMXRCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c31-10-11-32-12-13-33-14-15-34-16-17-35-18-19-36-24-3-1-2-22(4-6-24)23-5-7-25-26-21-29-9-8-27(26)30-28(25)20-23/h1-2,4-9,20-21,30-31H,10-19H2.

What are the key properties of 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 492.57 g/mol, XLogP of 3.78, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176547811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).