methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate

C22H16N2O2 — CID 71380129

IUPACmethyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1ccc(-c2c[nH]c3ccccc23)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H16N2O2/c1-26-22(25)16-11-10-14(17-12-23-18-8-4-2-6-13(17)18)21-20(16)15-7-3-5-9-19(15)24-21/h2-12,23-24H,1H3
InChIKeyROXRGQKAZXBTTR-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.26
Rot. Bonds2

About methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate

methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate (PubChem CID 71380129) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate
PubChem CID71380129
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Namemethyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1ccc(-c2c[nH]c3ccccc23)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H16N2O2/c1-26-22(25)16-11-10-14(17-12-23-18-8-4-2-6-13(17)18)21-20(16)15-7-3-5-9-19(15)24-21/h2-12,23-24H,1H3
InChIKeyROXRGQKAZXBTTR-UHFFFAOYSA-N
XLogP5.26
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate?
The IUPAC name of methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate (CID 71380129) is methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate?
The canonical SMILES for methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate is COC(=O)c1ccc(-c2c[nH]c3ccccc23)c2[nH]c3ccccc3c12.
What is the InChIKey of methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate?
The InChIKey is ROXRGQKAZXBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-26-22(25)16-11-10-14(17-12-23-18-8-4-2-6-13(17)18)21-20(16)15-7-3-5-9-19(15)24-21/h2-12,23-24H,1H3.
What are the key properties of methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate?
methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-indol-3-yl)-9H-carbazole-4-carboxylate is sourced from PubChem (CID 71380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).