10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide

C34H35IN2O3 — CID 174674482

IUPAC10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide
SMILESCCON1c2ccccc2C(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.I
InChIInChI=1S/C34H34N2O3.HI/c1-3-39-36-33-14-8-5-10-27(33)26(28-11-6-9-15-34(28)36)18-16-25-17-19-32-30(24-25)29-12-4-7-13-31(29)35(32)20-21-38-23-22-37-2;/h4-19,24,26H,3,20-23H2,1-2H3;1H
InChIKeyAUNKQTUFSAJFES-UHFFFAOYSA-N
MW646.57 g/mol
LogP8.32
Rot. Bonds10

About 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide

10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide (PubChem CID 174674482) has the molecular formula C34H35IN2O3 and a molecular weight of 646.57 g/mol. Its IUPAC name is 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide.

Molecular Properties

Compound Name10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide
PubChem CID174674482
Molecular FormulaC34H35IN2O3
Molecular Weight646.57 g/mol
Exact Mass646.17
IUPAC Name10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide
SMILESCCON1c2ccccc2C(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.I
InChIInChI=1S/C34H34N2O3.HI/c1-3-39-36-33-14-8-5-10-27(33)26(28-11-6-9-15-34(28)36)18-16-25-17-19-32-30(24-25)29-12-4-7-13-31(29)35(32)20-21-38-23-22-37-2;/h4-19,24,26H,3,20-23H2,1-2H3;1H
InChIKeyAUNKQTUFSAJFES-UHFFFAOYSA-N
XLogP8.32
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.57
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide?
The IUPAC name of 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide (CID 174674482) is 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide.
What is the SMILES notation for 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide?
The canonical SMILES for 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide is CCON1c2ccccc2C(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.I.
What is the InChIKey of 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide?
The InChIKey is AUNKQTUFSAJFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O3.HI/c1-3-39-36-33-14-8-5-10-27(33)26(28-11-6-9-15-34(28)36)18-16-25-17-19-32-30(24-25)29-12-4-7-13-31(29)35(32)20-21-38-23-22-37-2;/h4-19,24,26H,3,20-23H2,1-2H3;1H.
What are the key properties of 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide?
10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide has a molecular weight of 646.57 g/mol, XLogP of 8.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide is sourced from PubChem (CID 174674482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).