methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate

C22H16N2O2 — CID 141344968

IUPACmethyl 1-(9H-carbazol-2-yl)indole-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2n1-c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H16N2O2/c1-26-22(25)21-12-14-6-2-5-9-20(14)24(21)15-10-11-17-16-7-3-4-8-18(16)23-19(17)13-15/h2-13,23H,1H3
InChIKeyXVEVBKYUCIVQMQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.05
Rot. Bonds2

About methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate

methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate (PubChem CID 141344968) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(9H-carbazol-2-yl)indole-2-carboxylate
PubChem CID141344968
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Namemethyl 1-(9H-carbazol-2-yl)indole-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2n1-c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H16N2O2/c1-26-22(25)21-12-14-6-2-5-9-20(14)24(21)15-10-11-17-16-7-3-4-8-18(16)23-19(17)13-15/h2-13,23H,1H3
InChIKeyXVEVBKYUCIVQMQ-UHFFFAOYSA-N
XLogP5.05
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
2-carbazol-9-yl-7-methyl-9H-carbazole
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3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
methyl 1-methylsulfonylindole-2-carboxylate
CID 1487719
9-(9H-carbazol-2-yl)-2-phenylcarbazole
CID 170086059
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
CID 161042085
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
3-(1-phenylindol-2-yl)-9H-carbazole
CID 142748712
methyl 3-phenanthren-9-yl-1H-indole-2-carboxylate
CID 46183126
2-(3-carbazol-9-ylphenyl)-9H-carbazole
CID 118378581
12-(9H-carbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535722

Frequently Asked Questions

What is the IUPAC name of methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate?
The IUPAC name of methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate (CID 141344968) is methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate.
What is the SMILES notation for methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate?
The canonical SMILES for methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate is COC(=O)c1cc2ccccc2n1-c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate?
The InChIKey is XVEVBKYUCIVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-26-22(25)21-12-14-6-2-5-9-20(14)24(21)15-10-11-17-16-7-3-4-8-18(16)23-19(17)13-15/h2-13,23H,1H3.
What are the key properties of methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate?
methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate is sourced from PubChem (CID 141344968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).