methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate

C28H19FN2O5 — CID 56588863

IUPACmethyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCOC(=O)c1cc2c(c3c4cc(F)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(Cc1ccco1)C2
InChIInChI=1S/C28H19FN2O5/c1-35-28(34)21-12-17-14-30(15-19-8-5-11-36-19)27(33)23(17)24-20-13-18(29)9-10-22(20)31(25(21)24)26(32)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyAZPOQFJXVGTPGN-UHFFFAOYSA-N
MW482.47 g/mol
LogP5.16
Rot. Bonds4

About methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate

methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate (PubChem CID 56588863) has the molecular formula C28H19FN2O5 and a molecular weight of 482.47 g/mol. Its IUPAC name is methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
PubChem CID56588863
Molecular FormulaC28H19FN2O5
Molecular Weight482.47 g/mol
Exact Mass482.13
IUPAC Namemethyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCOC(=O)c1cc2c(c3c4cc(F)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(Cc1ccco1)C2
InChIInChI=1S/C28H19FN2O5/c1-35-28(34)21-12-17-14-30(15-19-8-5-11-36-19)27(33)23(17)24-20-13-18(29)9-10-22(20)31(25(21)24)26(32)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyAZPOQFJXVGTPGN-UHFFFAOYSA-N
XLogP5.16
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The IUPAC name of methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate (CID 56588863) is methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate.
What is the SMILES notation for methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The canonical SMILES for methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate is COC(=O)c1cc2c(c3c4cc(F)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(Cc1ccco1)C2.
What is the InChIKey of methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The InChIKey is AZPOQFJXVGTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O5/c1-35-28(34)21-12-17-14-30(15-19-8-5-11-36-19)27(33)23(17)24-20-13-18(29)9-10-22(20)31(25(21)24)26(32)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3.
What are the key properties of methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate has a molecular weight of 482.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-benzoyl-9-fluoro-2-(furan-2-ylmethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate is sourced from PubChem (CID 56588863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).