(3,4,9-triethylcarbazol-2-yl) benzoate

C25H25NO2 — CID 150434883

IUPAC(3,4,9-triethylcarbazol-2-yl) benzoate
SMILESCCc1c(OC(=O)c2ccccc2)cc2c(c1CC)c1ccccc1n2CC
InChIInChI=1S/C25H25NO2/c1-4-18-19(5-2)24-20-14-10-11-15-21(20)26(6-3)22(24)16-23(18)28-25(27)17-12-8-7-9-13-17/h7-16H,4-6H2,1-3H3
InChIKeyHKNXSVZUKWCUNC-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.16
Rot. Bonds5

About (3,4,9-triethylcarbazol-2-yl) benzoate

(3,4,9-triethylcarbazol-2-yl) benzoate (PubChem CID 150434883) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3,4,9-triethylcarbazol-2-yl) benzoate.

Molecular Properties

Compound Name(3,4,9-triethylcarbazol-2-yl) benzoate
PubChem CID150434883
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(3,4,9-triethylcarbazol-2-yl) benzoate
SMILESCCc1c(OC(=O)c2ccccc2)cc2c(c1CC)c1ccccc1n2CC
InChIInChI=1S/C25H25NO2/c1-4-18-19(5-2)24-20-14-10-11-15-21(20)26(6-3)22(24)16-23(18)28-25(27)17-12-8-7-9-13-17/h7-16H,4-6H2,1-3H3
InChIKeyHKNXSVZUKWCUNC-UHFFFAOYSA-N
XLogP6.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4,9-triethylcarbazol-2-yl) benzoate?
The IUPAC name of (3,4,9-triethylcarbazol-2-yl) benzoate (CID 150434883) is (3,4,9-triethylcarbazol-2-yl) benzoate.
What is the SMILES notation for (3,4,9-triethylcarbazol-2-yl) benzoate?
The canonical SMILES for (3,4,9-triethylcarbazol-2-yl) benzoate is CCc1c(OC(=O)c2ccccc2)cc2c(c1CC)c1ccccc1n2CC.
What is the InChIKey of (3,4,9-triethylcarbazol-2-yl) benzoate?
The InChIKey is HKNXSVZUKWCUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-18-19(5-2)24-20-14-10-11-15-21(20)26(6-3)22(24)16-23(18)28-25(27)17-12-8-7-9-13-17/h7-16H,4-6H2,1-3H3.
What are the key properties of (3,4,9-triethylcarbazol-2-yl) benzoate?
(3,4,9-triethylcarbazol-2-yl) benzoate has a molecular weight of 371.48 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,9-triethylcarbazol-2-yl) benzoate is sourced from PubChem (CID 150434883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).