9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine

C55H64N4O7 — CID 138520052

IUPAC9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine
SMILESCCOCCOCCN1c2ccc(N(c3ccc4c(c3)c3ccccc3n4CCOCCOCC)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)cc2C2C=CC=CC21
InChIInChI=1S/C55H64N4O7/c1-4-61-32-34-63-27-24-56-50-15-9-6-12-44(50)47-38-41(18-21-53(47)56)59(42-19-22-54-48(39-42)45-13-7-10-16-51(45)57(54)25-28-64-35-33-62-5-2)43-20-23-55-49(40-43)46-14-8-11-17-52(46)58(55)26-29-65-36-37-66-31-30-60-3/h6-23,38-40,44,50H,4-5,24-37H2,1-3H3
InChIKeyWTPGNOFJCOXXRB-UHFFFAOYSA-N
MW893.14 g/mol
LogP10.56
Rot. Bonds26

About 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine

9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine (PubChem CID 138520052) has the molecular formula C55H64N4O7 and a molecular weight of 893.14 g/mol. Its IUPAC name is 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine.

Molecular Properties

Compound Name9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine
PubChem CID138520052
Molecular FormulaC55H64N4O7
Molecular Weight893.14 g/mol
Exact Mass892.48
IUPAC Name9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine
SMILESCCOCCOCCN1c2ccc(N(c3ccc4c(c3)c3ccccc3n4CCOCCOCC)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)cc2C2C=CC=CC21
InChIInChI=1S/C55H64N4O7/c1-4-61-32-34-63-27-24-56-50-15-9-6-12-44(50)47-38-41(18-21-53(47)56)59(42-19-22-54-48(39-42)45-13-7-10-16-51(45)57(54)25-28-64-35-33-62-5-2)43-20-23-55-49(40-43)46-14-8-11-17-52(46)58(55)26-29-65-36-37-66-31-30-60-3/h6-23,38-40,44,50H,4-5,24-37H2,1-3H3
InChIKeyWTPGNOFJCOXXRB-UHFFFAOYSA-N
XLogP10.56
TPSA80.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.14
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine?
The IUPAC name of 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine (CID 138520052) is 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine.
What is the SMILES notation for 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine?
The canonical SMILES for 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine is CCOCCOCCN1c2ccc(N(c3ccc4c(c3)c3ccccc3n4CCOCCOCC)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)cc2C2C=CC=CC21.
What is the InChIKey of 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine?
The InChIKey is WTPGNOFJCOXXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64N4O7/c1-4-61-32-34-63-27-24-56-50-15-9-6-12-44(50)47-38-41(18-21-53(47)56)59(42-19-22-54-48(39-42)45-13-7-10-16-51(45)57(54)25-28-64-35-33-62-5-2)43-20-23-55-49(40-43)46-14-8-11-17-52(46)58(55)26-29-65-36-37-66-31-30-60-3/h6-23,38-40,44,50H,4-5,24-37H2,1-3H3.
What are the key properties of 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine?
9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine has a molecular weight of 893.14 g/mol, XLogP of 10.56, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine is sourced from PubChem (CID 138520052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).