3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole

C23H31NO — CID 10616940

IUPAC3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole
SMILESCCOc1cc2c([nH]c3ccccc32)c(CCCCC(C)CC)c1C
InChIInChI=1S/C23H31NO/c1-5-16(3)11-7-8-12-18-17(4)22(25-6-2)15-20-19-13-9-10-14-21(19)24-23(18)20/h9-10,13-16,24H,5-8,11-12H2,1-4H3
InChIKeyYYTKYANMVQTOLT-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.79
Rot. Bonds8

About 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole

3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole (PubChem CID 10616940) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole.

Molecular Properties

Compound Name3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole
PubChem CID10616940
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole
SMILESCCOc1cc2c([nH]c3ccccc32)c(CCCCC(C)CC)c1C
InChIInChI=1S/C23H31NO/c1-5-16(3)11-7-8-12-18-17(4)22(25-6-2)15-20-19-13-9-10-14-21(19)24-23(18)20/h9-10,13-16,24H,5-8,11-12H2,1-4H3
InChIKeyYYTKYANMVQTOLT-UHFFFAOYSA-N
XLogP6.79
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole?
The IUPAC name of 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole (CID 10616940) is 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole.
What is the SMILES notation for 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole?
The canonical SMILES for 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole is CCOc1cc2c([nH]c3ccccc32)c(CCCCC(C)CC)c1C.
What is the InChIKey of 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole?
The InChIKey is YYTKYANMVQTOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-5-16(3)11-7-8-12-18-17(4)22(25-6-2)15-20-19-13-9-10-14-21(19)24-23(18)20/h9-10,13-16,24H,5-8,11-12H2,1-4H3.
What are the key properties of 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole?
3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole has a molecular weight of 337.51 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyl-1-(5-methylheptyl)-9H-carbazole is sourced from PubChem (CID 10616940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).