5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate

C21H16N2O3 — CID 11631548

IUPAC5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate
SMILESCCOC(=O)Oc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12
InChIInChI=1S/C21H16N2O3/c1-2-25-21(24)26-20-18-14(12-7-3-5-9-16(12)22-18)11-15-13-8-4-6-10-17(13)23-19(15)20/h3-11,22-23H,2H2,1H3
InChIKeyHHLRSANYYAEVCV-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.49
Rot. Bonds2

About 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate

5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate (PubChem CID 11631548) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate.

Molecular Properties

Compound Name5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate
PubChem CID11631548
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate
SMILESCCOC(=O)Oc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12
InChIInChI=1S/C21H16N2O3/c1-2-25-21(24)26-20-18-14(12-7-3-5-9-16(12)22-18)11-15-13-8-4-6-10-17(13)23-19(15)20/h3-11,22-23H,2H2,1H3
InChIKeyHHLRSANYYAEVCV-UHFFFAOYSA-N
XLogP5.49
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate?
The IUPAC name of 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate (CID 11631548) is 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate.
What is the SMILES notation for 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate?
The canonical SMILES for 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate is CCOC(=O)Oc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12.
What is the InChIKey of 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate?
The InChIKey is HHLRSANYYAEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-2-25-21(24)26-20-18-14(12-7-3-5-9-16(12)22-18)11-15-13-8-4-6-10-17(13)23-19(15)20/h3-11,22-23H,2H2,1H3.
What are the key properties of 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate?
5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate has a molecular weight of 344.37 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate is sourced from PubChem (CID 11631548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).