methyl 2-carbazol-9-ylbenzoate

C40H30N2O4 — CID 139197454

IUPACmethyl 2-carbazol-9-ylbenzoate
SMILESCOC(=O)c1ccccc1-n1c2ccccc2c2ccccc21.COC(=O)c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C20H15NO2/c2*1-23-20(22)16-10-4-7-13-19(16)21-17-11-5-2-8-14(17)15-9-3-6-12-18(15)21/h2*2-13H,1H3
InChIKeyNOHZBEQAWQPCLZ-UHFFFAOYSA-N
MW602.69 g/mol
LogP9.14
Rot. Bonds4

About methyl 2-carbazol-9-ylbenzoate

methyl 2-carbazol-9-ylbenzoate (PubChem CID 139197454) has the molecular formula C40H30N2O4 and a molecular weight of 602.69 g/mol. Its IUPAC name is methyl 2-carbazol-9-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-carbazol-9-ylbenzoate
PubChem CID139197454
Molecular FormulaC40H30N2O4
Molecular Weight602.69 g/mol
Exact Mass602.22
IUPAC Namemethyl 2-carbazol-9-ylbenzoate
SMILESCOC(=O)c1ccccc1-n1c2ccccc2c2ccccc21.COC(=O)c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C20H15NO2/c2*1-23-20(22)16-10-4-7-13-19(16)21-17-11-5-2-8-14(17)15-9-3-6-12-18(15)21/h2*2-13H,1H3
InChIKeyNOHZBEQAWQPCLZ-UHFFFAOYSA-N
XLogP9.14
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-carbazol-9-ylbenzoate?
The IUPAC name of methyl 2-carbazol-9-ylbenzoate (CID 139197454) is methyl 2-carbazol-9-ylbenzoate.
What is the SMILES notation for methyl 2-carbazol-9-ylbenzoate?
The canonical SMILES for methyl 2-carbazol-9-ylbenzoate is COC(=O)c1ccccc1-n1c2ccccc2c2ccccc21.COC(=O)c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of methyl 2-carbazol-9-ylbenzoate?
The InChIKey is NOHZBEQAWQPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15NO2/c2*1-23-20(22)16-10-4-7-13-19(16)21-17-11-5-2-8-14(17)15-9-3-6-12-18(15)21/h2*2-13H,1H3.
What are the key properties of methyl 2-carbazol-9-ylbenzoate?
methyl 2-carbazol-9-ylbenzoate has a molecular weight of 602.69 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbazol-9-ylbenzoate is sourced from PubChem (CID 139197454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).