9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline

C38H23FN6 — CID 90297755

IUPAC9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2cc(-c3ccccc3)n3nc(-c4ccc5c6ccccc6n(-c6ncncn6)c5c4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C38H23FN6/c39-28-17-15-26-19-33(24-9-3-1-4-10-24)45-37(31(26)21-28)35(25-11-5-2-6-12-25)36(43-45)27-16-18-30-29-13-7-8-14-32(29)44(34(30)20-27)38-41-22-40-23-42-38/h1-23H
InChIKeyJHYXHWRYPHODMD-UHFFFAOYSA-N
MW582.64 g/mol
LogP8.91
Rot. Bonds4

About 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline

9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline (PubChem CID 90297755) has the molecular formula C38H23FN6 and a molecular weight of 582.64 g/mol. Its IUPAC name is 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline
PubChem CID90297755
Molecular FormulaC38H23FN6
Molecular Weight582.64 g/mol
Exact Mass582.20
IUPAC Name9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2cc(-c3ccccc3)n3nc(-c4ccc5c6ccccc6n(-c6ncncn6)c5c4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C38H23FN6/c39-28-17-15-26-19-33(24-9-3-1-4-10-24)45-37(31(26)21-28)35(25-11-5-2-6-12-25)36(43-45)27-16-18-30-29-13-7-8-14-32(29)44(34(30)20-27)38-41-22-40-23-42-38/h1-23H
InChIKeyJHYXHWRYPHODMD-UHFFFAOYSA-N
XLogP8.91
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.64
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline (CID 90297755) is 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline is Fc1ccc2cc(-c3ccccc3)n3nc(-c4ccc5c6ccccc6n(-c6ncncn6)c5c4)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is JHYXHWRYPHODMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23FN6/c39-28-17-15-26-19-33(24-9-3-1-4-10-24)45-37(31(26)21-28)35(25-11-5-2-6-12-25)36(43-45)27-16-18-30-29-13-7-8-14-32(29)44(34(30)20-27)38-41-22-40-23-42-38/h1-23H.
What are the key properties of 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline?
9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 582.64 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).