2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione

C23H23NO6 — CID 170638975

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
SMILESCOCCOCCOCCOc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C23H23NO6/c1-27-8-9-28-10-11-29-12-13-30-15-6-7-19-18(14-15)20-21(24-19)23(26)17-5-3-2-4-16(17)22(20)25/h2-7,14,24H,8-13H2,1H3
InChIKeyDMOBCQOVJRWQNQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.00
Rot. Bonds10

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione (PubChem CID 170638975) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
PubChem CID170638975
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
SMILESCOCCOCCOCCOc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C23H23NO6/c1-27-8-9-28-10-11-29-12-13-30-15-6-7-19-18(14-15)20-21(24-19)23(26)17-5-3-2-4-16(17)22(20)25/h2-7,14,24H,8-13H2,1H3
InChIKeyDMOBCQOVJRWQNQ-UHFFFAOYSA-N
XLogP3.00
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione (CID 170638975) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione is COCCOCCOCCOc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione?
The InChIKey is DMOBCQOVJRWQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-27-8-9-28-10-11-29-12-13-30-15-6-7-19-18(14-15)20-21(24-19)23(26)17-5-3-2-4-16(17)22(20)25/h2-7,14,24H,8-13H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione has a molecular weight of 409.44 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione is sourced from PubChem (CID 170638975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).