ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

C27H21F2N3O2 — CID 15857168

IUPACethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(-c3c[nH]c4cc(F)ccc34)c3c([nH]c4cc(F)ccc43)c(C)c2c1C
InChIInChI=1S/C27H21F2N3O2/c1-4-34-27(33)25-13(3)21-12(2)24-22(17-8-6-15(29)10-20(17)31-24)23(26(21)32-25)18-11-30-19-9-14(28)5-7-16(18)19/h5-11,30-32H,4H2,1-3H3
InChIKeyDYEYNBUXGLMARB-UHFFFAOYSA-N
MW457.48 g/mol
LogP7.02
Rot. Bonds3

About ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 15857168) has the molecular formula C27H21F2N3O2 and a molecular weight of 457.48 g/mol. Its IUPAC name is ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID15857168
Molecular FormulaC27H21F2N3O2
Molecular Weight457.48 g/mol
Exact Mass457.16
IUPAC Nameethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(-c3c[nH]c4cc(F)ccc34)c3c([nH]c4cc(F)ccc43)c(C)c2c1C
InChIInChI=1S/C27H21F2N3O2/c1-4-34-27(33)25-13(3)21-12(2)24-22(17-8-6-15(29)10-20(17)31-24)23(26(21)32-25)18-11-30-19-9-14(28)5-7-16(18)19/h5-11,30-32H,4H2,1-3H3
InChIKeyDYEYNBUXGLMARB-UHFFFAOYSA-N
XLogP7.02
TPSA73.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 57.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate with MolForge

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Related Compounds

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ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate
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Lynamicin E
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CID 10071124

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (CID 15857168) is ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is CCOC(=O)c1[nH]c2c(-c3c[nH]c4cc(F)ccc34)c3c([nH]c4cc(F)ccc43)c(C)c2c1C.
What is the InChIKey of ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is DYEYNBUXGLMARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O2/c1-4-34-27(33)25-13(3)21-12(2)24-22(17-8-6-15(29)10-20(17)31-24)23(26(21)32-25)18-11-30-19-9-14(28)5-7-16(18)19/h5-11,30-32H,4H2,1-3H3.
What are the key properties of ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 457.48 g/mol, XLogP of 7.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-4-(6-fluoro-1H-indol-3-yl)-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 15857168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).