8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

C46H31N3 — CID 167328640

IUPAC8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-6-16-32(17-7-1)41-29-38(30-42(47-41)33-18-8-2-9-19-33)37-26-27-40-39(28-37)31-43(34-20-10-3-11-21-34)49-46(40)44(35-22-12-4-13-23-35)45(48-49)36-24-14-5-15-25-36/h1-31H
InChIKeyQWQTUGSCNYIWSU-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.88
Rot. Bonds6

About 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 167328640) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
PubChem CID167328640
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-6-16-32(17-7-1)41-29-38(30-42(47-41)33-18-8-2-9-19-33)37-26-27-40-39(28-37)31-43(34-20-10-3-11-21-34)49-46(40)44(35-22-12-4-13-23-35)45(48-49)36-24-14-5-15-25-36/h1-31H
InChIKeyQWQTUGSCNYIWSU-UHFFFAOYSA-N
XLogP11.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328661
1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 167328696
8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328851
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328729
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328543
8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328822
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582
1,2,5-triphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]pyrazolo[5,1-a]isoquinoline
CID 167328856
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
1-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927859
9-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328576

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (CID 167328640) is 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is QWQTUGSCNYIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-6-16-32(17-7-1)41-29-38(30-42(47-41)33-18-8-2-9-19-33)37-26-27-40-39(28-37)31-43(34-20-10-3-11-21-34)49-46(40)44(35-22-12-4-13-23-35)45(48-49)36-24-14-5-15-25-36/h1-31H.
What are the key properties of 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 625.78 g/mol, XLogP of 11.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 167328640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).