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

C22H16N2O2 — CID 631008

IUPACmethyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
SMILESCOC(=O)c1ccc(-c2c[nH]c3ccccc23)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H16N2O2/c1-26-22(25)16-11-10-14(17-12-23-18-8-4-2-6-13(17)18)20-15-7-3-5-9-19(15)24-21(16)20/h2-12,23-24H,1H3
InChIKeyUAVUKNIZQRWINK-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.26
Rot. Bonds2

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

methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate (PubChem CID 631008) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
PubChem CID631008
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Namemethyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
SMILESCOC(=O)c1ccc(-c2c[nH]c3ccccc23)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H16N2O2/c1-26-22(25)16-11-10-14(17-12-23-18-8-4-2-6-13(17)18)20-15-7-3-5-9-19(15)24-21(16)20/h2-12,23-24H,1H3
InChIKeyUAVUKNIZQRWINK-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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Related Compounds

methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
methyl 2-[2-(ethylcarbamoyl)-3-(1H-indol-3-yl)phenyl]benzoate
CID 69340604
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
CID 102593234
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate?
The IUPAC name of methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate (CID 631008) is methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate.
What is the SMILES notation for methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate?
The canonical SMILES for methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate is COC(=O)c1ccc(-c2c[nH]c3ccccc23)c2c1[nH]c1ccccc12.
What is the InChIKey of methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate?
The InChIKey is UAVUKNIZQRWINK-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)20-15-7-3-5-9-19(15)24-21(16)20/h2-12,23-24H,1H3.
What are the key properties of methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate?
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-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 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate is sourced from PubChem (CID 631008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).