ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate

C23H20BrNO3 — CID 10320900

IUPACethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate
SMILESCCOC(=O)n1c2ccc(Br)cc2c2cc(OC)c(C)c(-c3ccccc3)c21
InChIInChI=1S/C23H20BrNO3/c1-4-28-23(26)25-19-11-10-16(24)12-17(19)18-13-20(27-3)14(2)21(22(18)25)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyNINKOCIZXKOYPR-UHFFFAOYSA-N
MW438.32 g/mol
LogP6.55
Rot. Bonds3

About ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate

ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate (PubChem CID 10320900) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate
PubChem CID10320900
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Nameethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate
SMILESCCOC(=O)n1c2ccc(Br)cc2c2cc(OC)c(C)c(-c3ccccc3)c21
InChIInChI=1S/C23H20BrNO3/c1-4-28-23(26)25-19-11-10-16(24)12-17(19)18-13-20(27-3)14(2)21(22(18)25)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyNINKOCIZXKOYPR-UHFFFAOYSA-N
XLogP6.55
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
CID 10092561
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
ethyl 6-bromo-3-methyl-2-oxobenzimidazole-1-carboxylate
CID 1484098
1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336520
(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone
CID 91690565
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837
ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate
CID 102335949
ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate
CID 11101024
ethyl 7-bromo-4-phenyl-2-propylquinoline-3-carboxylate
CID 167448651
ethyl 4-(4-bromophenyl)-7-fluoro-3-iodo-2-phenylpyrido[2,3-b]indole-9-carboxylate
CID 135060193
ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate
CID 11485359

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate?
The IUPAC name of ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate (CID 10320900) is ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate.
What is the SMILES notation for ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate?
The canonical SMILES for ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate is CCOC(=O)n1c2ccc(Br)cc2c2cc(OC)c(C)c(-c3ccccc3)c21.
What is the InChIKey of ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate?
The InChIKey is NINKOCIZXKOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO3/c1-4-28-23(26)25-19-11-10-16(24)12-17(19)18-13-20(27-3)14(2)21(22(18)25)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate?
ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate has a molecular weight of 438.32 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate is sourced from PubChem (CID 10320900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).