1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline

C37H24N4 — CID 155158465

IUPAC1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nc(-c3c(-c4ccccc4)n4ncc(-c5ccccc5)c4c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C37H24N4/c1-4-14-25(15-5-1)31-24-38-41-35(27-18-8-3-9-19-27)33(28-20-10-11-21-29(28)36(31)41)37-39-32-23-13-12-22-30(32)34(40-37)26-16-6-2-7-17-26/h1-24H
InChIKeyOYLUROZKWCOXER-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.10
Rot. Bonds4

About 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline

1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline (PubChem CID 155158465) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
PubChem CID155158465
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nc(-c3c(-c4ccccc4)n4ncc(-c5ccccc5)c4c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C37H24N4/c1-4-14-25(15-5-1)31-24-38-41-35(27-18-8-3-9-19-27)33(28-20-10-11-21-29(28)36(31)41)37-39-32-23-13-12-22-30(32)34(40-37)26-16-6-2-7-17-26/h1-24H
InChIKeyOYLUROZKWCOXER-UHFFFAOYSA-N
XLogP9.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-diphenyl-6-(2-phenylquinazolin-4-yl)pyrazolo[5,1-a]isoquinoline
CID 155158470
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029490
1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159633
1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155029591
1-cyclohexa-1,3-dien-1-yl-2,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
CID 155029692
2-[3-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 155159026
6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029700
1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159034
1,5-diphenyl-6-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155029467
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155158955
1,2,5-triphenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158485

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline (CID 155158465) is 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline is c1ccc(-c2nc(-c3c(-c4ccccc4)n4ncc(-c5ccccc5)c4c4ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is OYLUROZKWCOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-4-14-25(15-5-1)31-24-38-41-35(27-18-8-3-9-19-27)33(28-20-10-11-21-29(28)36(31)41)37-39-32-23-13-12-22-30(32)34(40-37)26-16-6-2-7-17-26/h1-24H.
What are the key properties of 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline?
1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 524.63 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155158465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).