ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate

C24H21NO5 — CID 10092561

IUPACethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
SMILESCCOC(=O)Oc1cc(-c2ccccc2)c2c(c1)c1ccccc1n2C(=O)OCC
InChIInChI=1S/C24H21NO5/c1-3-28-23(26)25-21-13-9-8-12-18(21)20-15-17(30-24(27)29-4-2)14-19(22(20)25)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyLMIHVIDNGCIQOO-UHFFFAOYSA-N
MW403.43 g/mol
LogP6.00
Rot. Bonds4

About ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate

ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate (PubChem CID 10092561) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
PubChem CID10092561
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Nameethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
SMILESCCOC(=O)Oc1cc(-c2ccccc2)c2c(c1)c1ccccc1n2C(=O)OCC
InChIInChI=1S/C24H21NO5/c1-3-28-23(26)25-21-13-9-8-12-18(21)20-15-17(30-24(27)29-4-2)14-19(22(20)25)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyLMIHVIDNGCIQOO-UHFFFAOYSA-N
XLogP6.00
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate?
The IUPAC name of ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate (CID 10092561) is ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate.
What is the SMILES notation for ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate?
The canonical SMILES for ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate is CCOC(=O)Oc1cc(-c2ccccc2)c2c(c1)c1ccccc1n2C(=O)OCC.
What is the InChIKey of ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate?
The InChIKey is LMIHVIDNGCIQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-3-28-23(26)25-21-13-9-8-12-18(21)20-15-17(30-24(27)29-4-2)14-19(22(20)25)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate?
ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate is sourced from PubChem (CID 10092561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).