1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline

C39H24N2 — CID 90297552

IUPAC1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3cc4cccc5ccc6cccc3c6c54)nn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C39H24N2/c1-3-11-25(12-4-1)34-24-29-15-7-8-19-31(29)39-37(26-13-5-2-6-14-26)38(40-41(34)39)33-23-30-18-9-16-27-21-22-28-17-10-20-32(33)36(28)35(27)30/h1-24H
InChIKeyVYURZEQLDBUGAK-UHFFFAOYSA-N
MW520.64 g/mol
LogP10.39
Rot. Bonds3

About 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline

1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297552) has the molecular formula C39H24N2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline
PubChem CID90297552
Molecular FormulaC39H24N2
Molecular Weight520.64 g/mol
Exact Mass520.19
IUPAC Name1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3cc4cccc5ccc6cccc3c6c54)nn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C39H24N2/c1-3-11-25(12-4-1)34-24-29-15-7-8-19-31(29)39-37(26-13-5-2-6-14-26)38(40-41(34)39)33-23-30-18-9-16-27-21-22-28-17-10-20-32(33)36(28)35(27)30/h1-24H
InChIKeyVYURZEQLDBUGAK-UHFFFAOYSA-N
XLogP10.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
2-[4-[4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927797
5-[4-(2-dibenzothiophen-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928247
5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297358
2,5-diphenyl-1-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 164927762
1,5-diphenyl-2-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 164928022
1-[4-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927902
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline (CID 90297552) is 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2c(-c3cc4cccc5ccc6cccc3c6c54)nn3c(-c4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline?
The InChIKey is VYURZEQLDBUGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2/c1-3-11-25(12-4-1)34-24-29-15-7-8-19-31(29)39-37(26-13-5-2-6-14-26)38(40-41(34)39)33-23-30-18-9-16-27-21-22-28-17-10-20-32(33)36(28)35(27)30/h1-24H.
What are the key properties of 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline?
1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline has a molecular weight of 520.64 g/mol, XLogP of 10.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).