9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

C30H18BrFN4O2 — CID 161328974

IUPAC9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c3cc(F)ccc3[nH]c12.O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12
InChIInChI=1S/C15H9BrN2O.C15H9FN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12;16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h2*1-7,17-18H
InChIKeyVLDUOBZGODDWME-UHFFFAOYSA-N
MW565.40 g/mol
LogP8.13
Rot. Bonds2

About 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 161328974) has the molecular formula C30H18BrFN4O2 and a molecular weight of 565.40 g/mol. Its IUPAC name is 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID161328974
Molecular FormulaC30H18BrFN4O2
Molecular Weight565.40 g/mol
Exact Mass564.06
IUPAC Name9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c3cc(F)ccc3[nH]c12.O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12
InChIInChI=1S/C15H9BrN2O.C15H9FN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12;16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h2*1-7,17-18H
InChIKeyVLDUOBZGODDWME-UHFFFAOYSA-N
XLogP8.13
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.40
LogP ≤ 58.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 161328974) is 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is O=Cc1c[nH]c2c1ccc1c3cc(F)ccc3[nH]c12.O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12.
What is the InChIKey of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is VLDUOBZGODDWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O.C15H9FN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12;16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h2*1-7,17-18H.
What are the key properties of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde has a molecular weight of 565.40 g/mol, XLogP of 8.13, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde;7-fluoro-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 161328974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).